REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1xp5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQCTEDH PHFEGLDCEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1 M CB 0.000 32.785 32.600 0.308 0.000 1.302 2 E N 1.613 121.752 120.200 -0.101 0.000 2.415 2 E HA 0.397 4.752 4.350 0.007 0.000 0.260 2 E C -0.034 176.462 176.600 -0.174 0.000 1.016 2 E CA 0.634 56.748 56.400 -0.476 0.000 0.924 2 E CB 0.780 29.943 29.700 -0.895 0.000 0.961 2 E HN 0.444 nan 8.360 nan 0.000 0.459 3 A N 4.129 126.871 122.820 -0.129 0.000 2.842 3 A HA 0.494 4.818 4.320 0.007 0.000 0.298 3 A C -0.122 177.488 177.584 0.043 0.000 1.293 3 A CA 0.128 52.164 52.037 -0.001 0.000 0.959 3 A CB 0.229 19.249 19.000 0.035 0.000 1.119 3 A HN 0.531 nan 8.150 nan 0.000 0.564 4 A N 0.720 123.512 122.820 -0.046 0.000 2.330 4 A HA 0.619 4.943 4.320 0.007 0.000 0.313 4 A C 0.250 177.774 177.584 -0.101 0.000 1.124 4 A CA -0.498 51.466 52.037 -0.122 0.000 0.774 4 A CB 0.495 19.384 19.000 -0.184 0.000 1.198 4 A HN 0.608 nan 8.150 nan 0.000 0.465 5 H N 1.008 120.075 119.070 -0.005 0.000 2.784 5 H HA 0.170 4.730 4.556 0.005 0.000 0.273 5 H C 0.536 175.879 175.328 0.025 0.000 1.112 5 H CA 0.684 56.734 56.048 0.003 0.000 1.162 5 H CB -0.129 29.647 29.762 0.024 0.000 1.586 5 H HN 0.572 nan 8.280 nan 0.000 0.548 6 S N -0.116 115.225 115.700 -0.599 0.000 2.539 6 S HA 0.236 4.711 4.470 0.007 0.000 0.221 6 S C 0.516 175.021 174.600 -0.157 0.000 0.987 6 S CA -0.587 57.400 58.200 -0.355 0.000 0.929 6 S CB 0.771 63.704 63.200 -0.445 0.000 0.832 6 S HN -0.004 nan 8.310 nan 0.000 0.492 7 K N 2.594 122.918 120.400 -0.126 0.000 2.168 7 K HA 0.529 4.854 4.320 0.007 0.000 0.239 7 K C 0.347 176.937 176.600 -0.016 0.000 0.999 7 K CA -0.432 55.822 56.287 -0.056 0.000 0.900 7 K CB 1.355 33.825 32.500 -0.050 0.000 1.111 7 K HN 0.361 nan 8.250 nan 0.000 0.452 8 S N -0.927 114.775 115.700 0.003 0.000 2.600 8 S HA 0.032 4.506 4.470 0.007 0.000 0.265 8 S C 1.330 175.946 174.600 0.027 0.000 1.325 8 S CA 0.145 58.356 58.200 0.018 0.000 1.002 8 S CB 0.460 63.671 63.200 0.018 0.000 0.921 8 S HN 0.614 nan 8.310 nan 0.000 0.554 9 T N -1.363 113.211 114.554 0.033 0.000 2.821 9 T HA -0.109 4.245 4.350 0.007 0.000 0.267 9 T C 1.493 176.220 174.700 0.045 0.000 1.046 9 T CA 1.336 63.458 62.100 0.038 0.000 1.139 9 T CB -0.629 68.258 68.868 0.033 0.000 0.871 9 T HN 0.678 nan 8.240 nan 0.000 0.454 10 E N 1.732 121.954 120.200 0.037 0.000 2.110 10 E HA -0.105 4.249 4.350 0.007 0.000 0.193 10 E C 2.145 178.777 176.600 0.052 0.000 0.988 10 E CA 1.281 57.704 56.400 0.040 0.000 0.804 10 E CB -0.315 29.402 29.700 0.027 0.000 0.745 10 E HN 0.722 nan 8.360 nan 0.000 0.458 11 E N -1.120 119.110 120.200 0.050 0.000 2.152 11 E HA -0.102 4.252 4.350 0.007 0.000 0.192 11 E C 2.060 178.720 176.600 0.100 0.000 0.983 11 E CA 0.850 57.286 56.400 0.061 0.000 0.818 11 E CB -0.066 29.658 29.700 0.041 0.000 0.758 11 E HN 0.313 nan 8.360 nan 0.000 0.467 12 C N 0.523 119.882 119.300 0.098 0.000 2.457 12 C HA -0.017 4.448 4.460 0.007 0.000 0.278 12 C C 2.492 177.633 174.990 0.252 0.000 1.309 12 C CA 0.309 59.413 59.018 0.144 0.000 1.735 12 C CB -0.694 27.109 27.740 0.105 0.000 1.992 12 C HN 0.397 nan 8.230 nan 0.000 0.493 13 L N 0.961 122.294 121.223 0.182 0.000 2.027 13 L HA -0.102 4.242 4.340 0.007 0.000 0.206 13 L C 2.913 179.898 176.870 0.192 0.000 1.074 13 L CA 1.558 56.514 54.840 0.192 0.000 0.745 13 L CB -0.840 41.286 42.059 0.111 0.000 0.898 13 L HN 0.294 nan 8.230 nan 0.000 0.433 14 A N -0.605 122.293 122.820 0.131 0.000 1.940 14 A HA -0.308 4.016 4.320 0.007 0.000 0.219 14 A C 2.181 179.808 177.584 0.073 0.000 1.176 14 A CA 1.699 53.788 52.037 0.086 0.000 0.631 14 A CB -0.969 18.065 19.000 0.056 0.000 0.814 14 A HN 0.465 nan 8.150 nan 0.000 0.446 15 Y N -0.618 119.658 120.300 -0.040 0.000 2.053 15 Y HA -0.273 4.281 4.550 0.007 0.000 0.277 15 Y C 1.799 177.542 175.900 -0.262 0.000 1.159 15 Y CA 2.487 60.464 58.100 -0.205 0.000 1.125 15 Y CB -0.429 37.822 38.460 -0.347 0.000 0.969 15 Y HN 0.300 nan 8.280 nan 0.000 0.492 16 F N -0.027 120.092 119.950 0.282 0.000 2.797 16 F HA 0.244 4.775 4.527 0.007 0.000 0.302 16 F C 1.606 177.502 175.800 0.161 0.000 1.130 16 F CA 0.577 58.727 58.000 0.250 0.000 1.387 16 F CB -0.302 38.887 39.000 0.315 0.000 1.107 16 F HN 0.151 nan 8.300 nan 0.000 0.577 17 G N 1.965 110.897 108.800 0.219 0.000 2.367 17 G HA2 -0.107 3.857 3.960 0.007 0.000 0.295 17 G HA3 -0.107 3.857 3.960 0.007 0.000 0.295 17 G C -0.597 174.389 174.900 0.144 0.000 1.019 17 G CA 0.361 45.544 45.100 0.139 0.000 1.224 17 G HN 0.415 nan 8.290 nan 0.000 0.510 18 V N -0.131 119.870 119.914 0.144 0.000 2.925 18 V HA 0.890 5.014 4.120 0.007 0.000 0.311 18 V C 0.243 176.379 176.094 0.069 0.000 1.104 18 V CA 0.041 62.398 62.300 0.096 0.000 0.954 18 V CB 2.230 34.113 31.823 0.100 0.000 1.022 18 V HN 1.479 nan 8.190 nan 0.000 0.427 19 S N 3.064 118.787 115.700 0.038 0.000 2.525 19 S HA 0.317 4.791 4.470 0.007 0.000 0.278 19 S C 0.889 175.493 174.600 0.007 0.000 1.234 19 S CA 0.501 58.713 58.200 0.021 0.000 1.058 19 S CB 1.381 64.586 63.200 0.008 0.000 0.983 19 S HN 0.996 nan 8.310 nan 0.000 0.495 20 E N 2.423 122.624 120.200 0.001 0.000 2.118 20 E HA -0.170 4.185 4.350 0.007 0.000 0.195 20 E C 1.643 178.206 176.600 -0.062 0.000 0.992 20 E CA 2.021 58.409 56.400 -0.020 0.000 0.804 20 E CB -0.195 29.495 29.700 -0.017 0.000 0.741 20 E HN 0.934 nan 8.360 nan 0.000 0.458 21 T N -2.366 112.151 114.554 -0.061 0.000 2.976 21 T HA -0.079 4.275 4.350 0.007 0.000 0.257 21 T C 2.128 176.774 174.700 -0.090 0.000 1.051 21 T CA 1.324 63.365 62.100 -0.098 0.000 1.141 21 T CB -0.462 68.363 68.868 -0.072 0.000 0.881 21 T HN 0.267 nan 8.240 nan 0.000 0.461 22 T N -0.508 114.022 114.554 -0.039 0.000 2.781 22 T HA 0.487 4.841 4.350 0.007 0.000 0.252 22 T C 1.383 176.093 174.700 0.017 0.000 1.039 22 T CA 0.767 62.861 62.100 -0.011 0.000 1.147 22 T CB -0.868 68.000 68.868 -0.000 0.000 0.865 22 T HN 1.316 nan 8.240 nan 0.000 0.423 23 G N 0.997 109.806 108.800 0.015 0.000 2.479 23 G HA2 0.189 4.153 3.960 0.007 0.000 0.686 23 G HA3 0.189 4.153 3.960 0.007 0.000 0.686 23 G C -1.137 173.765 174.900 0.004 0.000 1.295 23 G CA -0.629 44.488 45.100 0.029 0.000 0.922 23 G HN 0.581 nan 8.290 nan 0.000 0.582 24 L N 1.061 122.270 121.223 -0.022 0.000 2.483 24 L HA 0.504 4.849 4.340 0.007 0.000 0.275 24 L C 1.866 178.710 176.870 -0.044 0.000 1.220 24 L CA 0.901 55.704 54.840 -0.063 0.000 0.833 24 L CB 0.555 42.534 42.059 -0.133 0.000 1.102 24 L HN 1.129 nan 8.230 nan 0.000 0.490 25 T N -0.303 114.221 114.554 -0.050 0.000 2.927 25 T HA 0.438 4.792 4.350 0.007 0.000 0.281 25 T C -1.941 172.737 174.700 -0.036 0.000 0.998 25 T CA -1.792 60.291 62.100 -0.029 0.000 1.019 25 T CB 1.296 70.155 68.868 -0.016 0.000 1.061 25 T HN 0.400 nan 8.240 nan 0.000 0.518 26 P HA -0.141 nan 4.420 nan 0.000 0.215 26 P C 1.301 178.593 177.300 -0.014 0.000 1.157 26 P CA 1.044 64.135 63.100 -0.016 0.000 0.874 26 P CB 0.017 31.713 31.700 -0.006 0.000 0.790 27 D N -0.722 119.673 120.400 -0.008 0.000 2.123 27 D HA -0.192 4.452 4.640 0.007 0.000 0.196 27 D C 1.918 178.219 176.300 0.002 0.000 0.992 27 D CA 1.355 55.356 54.000 0.003 0.000 0.833 27 D CB -0.348 40.457 40.800 0.008 0.000 0.954 27 D HN 0.223 nan 8.370 nan 0.000 0.455 28 Q N -0.323 119.459 119.800 -0.031 0.000 2.119 28 Q HA -0.073 4.271 4.340 0.007 0.000 0.201 28 Q C 2.388 178.307 176.000 -0.134 0.000 0.972 28 Q CA 0.870 56.618 55.803 -0.091 0.000 0.847 28 Q CB 0.188 28.808 28.738 -0.196 0.000 0.903 28 Q HN 0.222 nan 8.270 nan 0.000 0.433 29 V N 1.312 121.167 119.914 -0.098 0.000 2.809 29 V HA -0.224 3.900 4.120 0.007 0.000 0.256 29 V C 2.194 178.293 176.094 0.008 0.000 1.080 29 V CA 1.602 63.867 62.300 -0.059 0.000 1.102 29 V CB -0.451 31.341 31.823 -0.050 0.000 0.705 29 V HN 0.306 nan 8.190 nan 0.000 0.475 30 K N 0.394 120.803 120.400 0.015 0.000 2.031 30 K HA -0.128 4.196 4.320 0.007 0.000 0.205 30 K C 2.396 179.028 176.600 0.054 0.000 1.049 30 K CA 1.247 57.550 56.287 0.027 0.000 0.939 30 K CB -0.066 32.446 32.500 0.021 0.000 0.717 30 K HN 0.330 nan 8.250 nan 0.000 0.438 31 R N -0.767 119.789 120.500 0.095 0.000 2.073 31 R HA -0.072 4.272 4.340 0.007 0.000 0.229 31 R C 2.359 178.763 176.300 0.173 0.000 1.120 31 R CA 1.416 57.590 56.100 0.123 0.000 0.967 31 R CB -0.411 29.984 30.300 0.159 0.000 0.862 31 R HN 0.325 nan 8.270 nan 0.000 0.436 32 H N 0.837 119.951 119.070 0.074 0.000 2.326 32 H HA -0.071 4.489 4.556 0.007 0.000 0.301 32 H C 1.941 177.357 175.328 0.147 0.000 1.081 32 H CA 1.141 57.307 56.048 0.197 0.000 1.334 32 H CB -0.327 29.589 29.762 0.256 0.000 1.385 32 H HN 0.042 nan 8.280 nan 0.000 0.504 33 L N 0.314 121.646 121.223 0.181 0.000 2.261 33 L HA -0.170 4.174 4.340 0.007 0.000 0.216 33 L C 2.206 179.067 176.870 -0.015 0.000 1.114 33 L CA 1.192 56.040 54.840 0.013 0.000 0.777 33 L CB 0.015 42.030 42.059 -0.073 0.000 0.910 33 L HN 0.263 nan 8.230 nan 0.000 0.440 34 E N 0.210 120.417 120.200 0.011 0.000 2.030 34 E HA -0.225 4.129 4.350 0.007 0.000 0.189 34 E C 2.020 178.574 176.600 -0.075 0.000 0.974 34 E CA 1.078 57.466 56.400 -0.020 0.000 0.807 34 E CB -0.003 29.689 29.700 -0.013 0.000 0.771 34 E HN 0.386 nan 8.360 nan 0.000 0.451 35 K N -0.603 119.686 120.400 -0.185 0.000 2.148 35 K HA -0.142 4.182 4.320 0.007 0.000 0.204 35 K C 1.445 177.778 176.600 -0.445 0.000 1.050 35 K CA 1.183 57.231 56.287 -0.397 0.000 0.942 35 K CB 0.001 32.094 32.500 -0.679 0.000 0.724 35 K HN 0.097 nan 8.250 nan 0.000 0.446 36 Y N -0.596 119.711 120.300 0.012 0.000 2.462 36 Y HA 0.287 4.842 4.550 0.008 0.000 0.253 36 Y C 1.142 177.052 175.900 0.017 0.000 1.095 36 Y CA 0.239 58.351 58.100 0.020 0.000 1.283 36 Y CB 0.764 39.241 38.460 0.030 0.000 1.138 36 Y HN 0.272 nan 8.280 nan 0.000 0.522 37 G N 0.146 109.014 108.800 0.112 0.000 2.681 37 G HA2 -0.237 3.727 3.960 0.007 0.000 0.220 37 G HA3 -0.237 3.727 3.960 0.007 0.000 0.220 37 G C -1.067 173.828 174.900 -0.008 0.000 1.353 37 G CA -0.632 44.514 45.100 0.076 0.000 0.872 37 G HN 0.362 nan 8.290 nan 0.000 0.557 38 H N -0.152 118.959 119.070 0.067 0.000 2.505 38 H HA 0.511 5.071 4.556 0.007 0.000 0.351 38 H C 0.859 176.215 175.328 0.046 0.000 1.151 38 H CA 0.128 56.207 56.048 0.052 0.000 1.339 38 H CB 0.955 30.737 29.762 0.035 0.000 1.483 38 H HN 0.584 nan 8.280 nan 0.000 0.558 39 N N 2.421 121.202 118.700 0.135 0.000 2.968 39 N HA 0.026 4.770 4.740 0.007 0.000 0.271 39 N C -1.259 174.299 175.510 0.079 0.000 1.174 39 N CA -0.355 52.743 53.050 0.080 0.000 1.096 39 N CB -0.278 38.232 38.487 0.039 0.000 1.403 39 N HN 0.751 nan 8.380 nan 0.000 0.522 40 E N 1.558 121.807 120.200 0.081 0.000 2.363 40 E HA 0.219 4.573 4.350 0.007 0.000 0.281 40 E C -1.281 175.347 176.600 0.047 0.000 0.953 40 E CA -0.845 55.590 56.400 0.057 0.000 0.778 40 E CB 0.647 30.378 29.700 0.050 0.000 1.220 40 E HN 0.087 nan 8.360 nan 0.000 0.431 41 L N 2.477 123.722 121.223 0.036 0.000 2.380 41 L HA 0.377 4.721 4.340 0.007 0.000 0.273 41 L C -2.083 174.798 176.870 0.019 0.000 1.138 41 L CA -1.838 53.019 54.840 0.029 0.000 0.832 41 L CB 0.325 42.401 42.059 0.027 0.000 1.124 41 L HN 0.405 nan 8.230 nan 0.000 0.454 42 P HA 0.169 nan 4.420 nan 0.000 0.275 42 P C -0.944 176.356 177.300 0.000 0.000 1.228 42 P CA -0.316 62.787 63.100 0.006 0.000 0.786 42 P CB 1.001 32.706 31.700 0.008 0.000 0.927 43 A N 1.900 124.716 122.820 -0.007 0.000 2.309 43 A HA 0.322 4.646 4.320 0.007 0.000 0.298 43 A C 0.097 177.672 177.584 -0.016 0.000 1.165 43 A CA -0.492 51.538 52.037 -0.011 0.000 0.821 43 A CB 0.017 19.007 19.000 -0.015 0.000 1.102 43 A HN 0.568 nan 8.150 nan 0.000 0.500 44 E N 1.666 121.856 120.200 -0.017 0.000 2.313 44 E HA 0.237 4.591 4.350 0.007 0.000 0.276 44 E C -0.660 175.924 176.600 -0.027 0.000 1.031 44 E CA -0.369 56.019 56.400 -0.021 0.000 0.857 44 E CB 0.540 30.228 29.700 -0.020 0.000 1.040 44 E HN 0.525 nan 8.360 nan 0.000 0.408 45 E N 3.086 123.266 120.200 -0.033 0.000 2.174 45 E HA 0.225 4.579 4.350 0.007 0.000 0.282 45 E C 0.429 177.001 176.600 -0.045 0.000 0.992 45 E CA -0.326 56.048 56.400 -0.042 0.000 0.803 45 E CB 1.532 31.201 29.700 -0.052 0.000 1.090 45 E HN 0.776 nan 8.360 nan 0.000 0.396 46 G N 3.008 111.781 108.800 -0.046 0.000 2.134 46 G HA2 -0.183 3.781 3.960 0.007 0.000 0.524 46 G HA3 -0.183 3.781 3.960 0.007 0.000 0.524 46 G C -0.014 174.857 174.900 -0.050 0.000 1.387 46 G CA -0.355 44.717 45.100 -0.045 0.000 1.102 46 G HN 0.438 nan 8.290 nan 0.000 0.569 47 K N 0.123 120.494 120.400 -0.048 0.000 2.511 47 K HA 0.146 4.470 4.320 0.007 0.000 0.280 47 K C 0.114 176.677 176.600 -0.062 0.000 1.008 47 K CA 0.276 56.537 56.287 -0.043 0.000 1.050 47 K CB 0.618 33.097 32.500 -0.036 0.000 0.889 47 K HN 0.285 nan 8.250 nan 0.000 0.484 48 S N 4.233 119.902 115.700 -0.052 0.000 2.410 48 S HA 0.161 4.636 4.470 0.007 0.000 0.304 48 S C 1.283 175.855 174.600 -0.046 0.000 1.095 48 S CA -0.798 57.349 58.200 -0.089 0.000 1.089 48 S CB 0.263 63.436 63.200 -0.046 0.000 0.968 48 S HN 0.561 nan 8.310 nan 0.000 0.480 49 L N 3.869 125.027 121.223 -0.108 0.000 2.261 49 L HA -0.049 4.295 4.340 0.007 0.000 0.216 49 L C 1.239 178.253 176.870 0.240 0.000 1.114 49 L CA 0.933 55.785 54.840 0.020 0.000 0.777 49 L CB -0.310 41.739 42.059 -0.018 0.000 0.910 49 L HN 0.696 nan 8.230 nan 0.000 0.440 50 W N -0.457 120.858 121.300 0.025 0.000 3.290 50 W HA 0.126 4.790 4.660 0.007 0.000 0.287 50 W C 1.589 178.130 176.519 0.037 0.000 1.288 50 W CA -0.254 57.110 57.345 0.032 0.000 1.725 50 W CB -0.280 29.192 29.460 0.021 0.000 1.103 50 W HN 0.176 nan 8.180 nan 0.000 0.670 51 E N 0.264 120.597 120.200 0.222 0.000 2.995 51 E HA 0.180 4.534 4.350 0.007 0.000 0.203 51 E C 0.849 177.500 176.600 0.085 0.000 0.980 51 E CA 0.138 56.620 56.400 0.137 0.000 1.172 51 E CB 0.143 29.902 29.700 0.098 0.000 1.088 51 E HN 0.145 nan 8.360 nan 0.000 0.463 52 L N -0.780 120.500 121.223 0.094 0.000 3.017 52 L HA 0.157 4.501 4.340 0.007 0.000 0.265 52 L C 1.522 178.429 176.870 0.062 0.000 1.128 52 L CA 0.188 55.060 54.840 0.053 0.000 0.984 52 L CB 0.800 42.880 42.059 0.035 0.000 1.464 52 L HN 0.039 nan 8.230 nan 0.000 0.556 53 V N 0.705 120.693 119.914 0.122 0.000 2.725 53 V HA -0.133 3.991 4.120 0.007 0.000 0.247 53 V C 2.286 178.517 176.094 0.228 0.000 1.058 53 V CA 1.367 63.766 62.300 0.166 0.000 1.080 53 V CB -0.205 31.755 31.823 0.228 0.000 0.713 53 V HN 0.442 nan 8.190 nan 0.000 0.465 54 I N -1.562 119.131 120.570 0.206 0.000 2.439 54 I HA -0.037 4.138 4.170 0.007 0.000 0.251 54 I C 2.310 178.499 176.117 0.120 0.000 1.139 54 I CA 1.450 62.874 61.300 0.206 0.000 1.438 54 I CB -0.420 37.671 38.000 0.150 0.000 1.085 54 I HN 0.118 nan 8.210 nan 0.000 0.427 55 E N 1.399 121.631 120.200 0.054 0.000 2.150 55 E HA -0.145 4.209 4.350 0.007 0.000 0.193 55 E C 2.244 178.812 176.600 -0.053 0.000 0.985 55 E CA 1.030 57.434 56.400 0.008 0.000 0.814 55 E CB -0.274 29.426 29.700 -0.001 0.000 0.752 55 E HN 0.650 nan 8.360 nan 0.000 0.466 56 Q N -1.117 118.597 119.800 -0.144 0.000 2.311 56 Q HA 0.008 4.352 4.340 0.007 0.000 0.203 56 Q C 1.711 177.437 176.000 -0.456 0.000 0.954 56 Q CA 0.583 56.192 55.803 -0.322 0.000 0.885 56 Q CB -0.004 28.455 28.738 -0.465 0.000 0.963 56 Q HN 0.370 nan 8.270 nan 0.000 0.471 57 F N 0.567 120.519 119.950 0.004 0.000 2.619 57 F HA 0.065 4.596 4.527 0.007 0.000 0.293 57 F C 1.041 176.834 175.800 -0.012 0.000 1.119 57 F CA 0.030 58.026 58.000 -0.007 0.000 1.445 57 F CB 0.695 39.688 39.000 -0.012 0.000 1.119 57 F HN -0.140 nan 8.300 nan 0.000 0.573 58 E N 1.602 121.869 120.200 0.111 0.000 2.026 58 E HA 0.138 4.492 4.350 0.007 0.000 0.253 58 E C -1.153 175.462 176.600 0.025 0.000 1.056 58 E CA -0.025 56.415 56.400 0.067 0.000 0.927 58 E CB -0.344 29.389 29.700 0.056 0.000 1.172 58 E HN 0.150 nan 8.360 nan 0.000 0.445 59 D N 3.122 123.532 120.400 0.018 0.000 2.614 59 D HA 0.030 4.675 4.640 0.007 0.000 0.203 59 D C 1.151 177.447 176.300 -0.007 0.000 1.312 59 D CA -0.268 53.731 54.000 -0.002 0.000 0.889 59 D CB 1.116 41.909 40.800 -0.011 0.000 1.615 59 D HN 0.195 nan 8.370 nan 0.000 0.567 60 L N 2.904 124.114 121.223 -0.022 0.000 2.230 60 L HA -0.256 4.088 4.340 0.007 0.000 0.217 60 L C 2.335 179.178 176.870 -0.044 0.000 1.090 60 L CA 1.217 56.034 54.840 -0.038 0.000 0.771 60 L CB -0.416 41.605 42.059 -0.063 0.000 0.892 60 L HN 0.546 nan 8.230 nan 0.000 0.438 61 L N -0.466 120.732 121.223 -0.042 0.000 2.187 61 L HA -0.160 4.185 4.340 0.007 0.000 0.213 61 L C 2.269 179.130 176.870 -0.015 0.000 1.100 61 L CA 1.170 55.986 54.840 -0.040 0.000 0.765 61 L CB -0.556 41.488 42.059 -0.025 0.000 0.904 61 L HN 0.362 nan 8.230 nan 0.000 0.437 62 V N -5.382 114.536 119.914 0.007 0.000 3.570 62 V HA 0.112 4.236 4.120 0.007 0.000 0.257 62 V C 2.327 178.458 176.094 0.060 0.000 1.272 62 V CA 0.043 62.373 62.300 0.050 0.000 1.079 62 V CB -0.023 31.853 31.823 0.088 0.000 0.829 62 V HN 0.178 nan 8.190 nan 0.000 0.454 63 R N 0.330 120.849 120.500 0.032 0.000 2.062 63 R HA 0.007 4.352 4.340 0.007 0.000 0.231 63 R C 2.346 178.638 176.300 -0.013 0.000 1.136 63 R CA 2.131 58.239 56.100 0.012 0.000 0.948 63 R CB -0.272 30.025 30.300 -0.005 0.000 0.845 63 R HN 0.408 nan 8.270 nan 0.000 0.430 64 I N 1.272 121.825 120.570 -0.029 0.000 2.179 64 I HA -0.259 3.916 4.170 0.007 0.000 0.242 64 I C 2.288 178.386 176.117 -0.031 0.000 1.088 64 I CA 1.432 62.705 61.300 -0.045 0.000 1.357 64 I CB -1.074 36.887 38.000 -0.064 0.000 1.051 64 I HN 0.246 nan 8.210 nan 0.000 0.409 65 L N -0.180 121.035 121.223 -0.014 0.000 2.456 65 L HA -0.180 4.165 4.340 0.007 0.000 0.224 65 L C 2.431 179.309 176.870 0.013 0.000 1.148 65 L CA 0.467 55.309 54.840 0.003 0.000 0.825 65 L CB -0.397 41.672 42.059 0.016 0.000 0.937 65 L HN 0.251 nan 8.230 nan 0.000 0.450 66 L N -0.256 120.971 121.223 0.006 0.000 2.056 66 L HA -0.119 4.225 4.340 0.007 0.000 0.202 66 L C 2.239 179.092 176.870 -0.029 0.000 1.086 66 L CA 1.316 56.150 54.840 -0.009 0.000 0.758 66 L CB -0.540 41.508 42.059 -0.018 0.000 0.912 66 L HN 0.026 nan 8.230 nan 0.000 0.446 67 L N 0.351 121.551 121.223 -0.038 0.000 2.051 67 L HA -0.231 4.113 4.340 0.007 0.000 0.214 67 L C 2.440 179.294 176.870 -0.027 0.000 1.076 67 L CA 2.262 57.075 54.840 -0.044 0.000 0.758 67 L CB -1.184 40.841 42.059 -0.057 0.000 0.890 67 L HN 0.389 nan 8.230 nan 0.000 0.433 68 A N -0.625 122.181 122.820 -0.022 0.000 1.845 68 A HA -0.117 4.208 4.320 0.007 0.000 0.215 68 A C 2.457 180.069 177.584 0.046 0.000 1.195 68 A CA 2.104 54.138 52.037 -0.005 0.000 0.616 68 A CB -1.353 17.640 19.000 -0.013 0.000 0.832 68 A HN 0.585 nan 8.150 nan 0.000 0.443 69 A N -1.319 121.534 122.820 0.056 0.000 1.978 69 A HA -0.211 4.114 4.320 0.007 0.000 0.220 69 A C 2.363 180.061 177.584 0.190 0.000 1.170 69 A CA 1.809 53.920 52.037 0.123 0.000 0.636 69 A CB -1.311 17.747 19.000 0.096 0.000 0.810 69 A HN 0.877 nan 8.150 nan 0.000 0.448 70 C N -0.764 118.559 119.300 0.039 0.000 2.467 70 C HA 0.089 4.553 4.460 0.007 0.000 0.279 70 C C 2.183 177.232 174.990 0.099 0.000 1.347 70 C CA 0.825 59.800 59.018 -0.071 0.000 1.748 70 C CB -0.984 26.684 27.740 -0.120 0.000 1.977 70 C HN 0.538 nan 8.230 nan 0.000 0.501 71 I N 1.074 121.718 120.570 0.123 0.000 3.251 71 I HA 0.010 4.184 4.170 0.007 0.000 0.277 71 I C 2.375 178.620 176.117 0.213 0.000 1.268 71 I CA 1.055 62.459 61.300 0.173 0.000 1.449 71 I CB -1.358 36.707 38.000 0.107 0.000 1.083 71 I HN 0.345 nan 8.210 nan 0.000 0.464 72 S N -0.179 115.658 115.700 0.228 0.000 2.701 72 S HA 0.089 4.564 4.470 0.007 0.000 0.220 72 S C 1.355 175.978 174.600 0.040 0.000 0.954 72 S CA 0.288 58.567 58.200 0.132 0.000 0.936 72 S CB -0.196 63.059 63.200 0.092 0.000 0.777 72 S HN 0.256 nan 8.310 nan 0.000 0.518 73 F N -0.780 119.142 119.950 -0.046 0.000 2.577 73 F HA 0.293 4.825 4.527 0.007 0.000 0.276 73 F C 2.026 177.915 175.800 0.148 0.000 1.032 73 F CA 0.003 57.972 58.000 -0.052 0.000 1.297 73 F CB -0.481 38.532 39.000 0.020 0.000 1.061 73 F HN -0.001 nan 8.300 nan 0.000 0.680 74 V N 0.447 120.575 119.914 0.355 0.000 2.392 74 V HA -0.245 3.879 4.120 0.007 0.000 0.249 74 V C 1.735 177.976 176.094 0.245 0.000 1.059 74 V CA 1.626 64.094 62.300 0.279 0.000 1.051 74 V CB -0.593 31.340 31.823 0.185 0.000 0.658 74 V HN 0.183 nan 8.190 nan 0.000 0.455 75 L N -0.297 121.042 121.223 0.193 0.000 2.628 75 L HA 0.348 4.692 4.340 0.007 0.000 0.229 75 L C 1.964 178.947 176.870 0.188 0.000 1.137 75 L CA 1.086 56.021 54.840 0.159 0.000 0.909 75 L CB -0.617 41.516 42.059 0.123 0.000 1.137 75 L HN 0.203 nan 8.230 nan 0.000 0.470 76 A N -1.765 121.146 122.820 0.151 0.000 2.063 76 A HA -0.039 4.285 4.320 0.007 0.000 0.211 76 A C 1.986 179.823 177.584 0.421 0.000 1.177 76 A CA 0.064 52.114 52.037 0.023 0.000 0.759 76 A CB -0.423 18.073 19.000 -0.840 0.000 0.857 76 A HN 0.489 nan 8.150 nan 0.000 0.468 77 W N -0.425 121.077 121.300 0.336 0.000 2.453 77 W HA 0.135 4.800 4.660 0.007 0.000 0.289 77 W C -0.552 176.101 176.519 0.223 0.000 1.215 77 W CA 0.508 58.051 57.345 0.330 0.000 1.297 77 W CB -0.280 29.359 29.460 0.299 0.000 1.113 77 W HN 0.234 nan 8.180 nan 0.000 0.551 78 F N 2.520 122.681 119.950 0.351 0.000 2.600 78 F HA 0.119 4.651 4.527 0.007 0.000 0.345 78 F C -0.076 175.819 175.800 0.159 0.000 1.271 78 F CA 0.798 58.925 58.000 0.213 0.000 1.138 78 F CB -0.525 38.559 39.000 0.138 0.000 1.449 78 F HN -0.257 nan 8.300 nan 0.000 0.645 79 E N 2.169 122.495 120.200 0.210 0.000 2.404 79 E HA 0.081 4.435 4.350 0.007 0.000 0.298 79 E C -0.825 175.819 176.600 0.072 0.000 0.908 79 E CA -0.641 55.844 56.400 0.141 0.000 0.808 79 E CB 1.349 31.127 29.700 0.130 0.000 1.380 79 E HN 0.580 nan 8.360 nan 0.000 0.392 80 E N 2.104 122.340 120.200 0.059 0.000 2.383 80 E HA 0.538 4.892 4.350 0.007 0.000 0.264 80 E C 0.614 177.224 176.600 0.018 0.000 1.050 80 E CA -0.075 56.342 56.400 0.029 0.000 0.896 80 E CB 1.010 30.727 29.700 0.029 0.000 0.982 80 E HN 0.622 nan 8.360 nan 0.000 0.424 81 G N 2.146 110.947 108.800 0.001 0.000 2.566 81 G HA2 -0.245 3.719 3.960 0.007 0.000 0.599 81 G HA3 -0.245 3.719 3.960 0.007 0.000 0.599 81 G C 0.262 175.145 174.900 -0.027 0.000 1.292 81 G CA -0.097 44.998 45.100 -0.008 0.000 0.922 81 G HN 0.728 nan 8.290 nan 0.000 0.514 82 E N -0.093 120.086 120.200 -0.035 0.000 2.502 82 E HA 0.044 4.398 4.350 0.007 0.000 0.194 82 E C 1.075 177.633 176.600 -0.070 0.000 1.062 82 E CA 1.011 57.377 56.400 -0.058 0.000 0.867 82 E CB 0.168 29.836 29.700 -0.053 0.000 0.888 82 E HN 0.476 nan 8.360 nan 0.000 0.510 83 E N 0.573 120.745 120.200 -0.048 0.000 2.301 83 E HA 0.039 4.394 4.350 0.007 0.000 0.195 83 E C 0.703 177.273 176.600 -0.050 0.000 1.171 83 E CA 0.268 56.641 56.400 -0.045 0.000 1.142 83 E CB 0.201 29.892 29.700 -0.017 0.000 1.218 83 E HN 0.215 nan 8.360 nan 0.000 0.448 84 T N -1.272 113.223 114.554 -0.097 0.000 2.971 84 T HA 0.112 4.466 4.350 0.007 0.000 0.252 84 T C 1.142 175.635 174.700 -0.345 0.000 1.022 84 T CA -0.070 61.947 62.100 -0.139 0.000 0.980 84 T CB 0.098 68.890 68.868 -0.127 0.000 1.044 84 T HN 0.185 nan 8.240 nan 0.000 0.501 85 I N 1.412 121.799 120.570 -0.305 0.000 3.728 85 I HA 0.313 4.487 4.170 0.007 0.000 0.307 85 I C 0.671 176.612 176.117 -0.293 0.000 1.276 85 I CA 0.835 61.906 61.300 -0.381 0.000 1.285 85 I CB 0.488 38.324 38.000 -0.274 0.000 1.038 85 I HN 0.053 nan 8.210 nan 0.000 0.445 86 T N 0.830 115.265 114.554 -0.197 0.000 3.355 86 T HA 0.536 4.891 4.350 0.007 0.000 0.276 86 T C 0.472 175.118 174.700 -0.089 0.000 1.003 86 T CA 0.327 62.343 62.100 -0.139 0.000 0.943 86 T CB 0.279 69.083 68.868 -0.106 0.000 1.158 86 T HN 0.210 nan 8.240 nan 0.000 0.513 87 A N 0.079 122.870 122.820 -0.048 0.000 2.543 87 A HA 0.542 4.867 4.320 0.007 0.000 0.279 87 A C 0.379 178.110 177.584 0.245 0.000 0.917 87 A CA -0.339 51.733 52.037 0.058 0.000 1.036 87 A CB -0.204 18.839 19.000 0.072 0.000 1.227 87 A HN 0.562 nan 8.150 nan 0.000 0.503 88 F N -0.876 118.948 119.950 -0.211 0.000 2.661 88 F HA 0.089 4.621 4.527 0.007 0.000 0.306 88 F C 1.613 177.298 175.800 -0.191 0.000 1.094 88 F CA 0.084 57.936 58.000 -0.248 0.000 1.254 88 F CB 1.075 39.874 39.000 -0.335 0.000 1.040 88 F HN 0.138 nan 8.300 nan 0.000 0.562 89 V N 0.312 120.221 119.914 -0.008 0.000 2.427 89 V HA -0.285 3.839 4.120 0.007 0.000 0.248 89 V C 2.276 178.416 176.094 0.078 0.000 1.051 89 V CA 2.228 64.531 62.300 0.005 0.000 1.048 89 V CB -0.411 31.379 31.823 -0.055 0.000 0.666 89 V HN 0.419 nan 8.190 nan 0.000 0.456 90 E N 1.200 121.405 120.200 0.007 0.000 2.012 90 E HA -0.209 4.145 4.350 0.007 0.000 0.197 90 E C -0.154 176.471 176.600 0.042 0.000 1.007 90 E CA 2.032 58.441 56.400 0.014 0.000 0.816 90 E CB -0.976 28.711 29.700 -0.021 0.000 0.762 90 E HN 0.483 nan 8.360 nan 0.000 0.451 91 P HA -0.162 nan 4.420 nan 0.000 0.221 91 P C 1.188 178.573 177.300 0.142 0.000 1.145 91 P CA 1.041 64.135 63.100 -0.010 0.000 0.795 91 P CB -0.156 31.310 31.700 -0.389 0.000 0.775 92 F N 1.021 120.943 119.950 -0.047 0.000 2.037 92 F HA -0.144 4.387 4.527 0.007 0.000 0.291 92 F C 2.531 178.367 175.800 0.061 0.000 1.137 92 F CA 1.164 59.184 58.000 0.033 0.000 1.178 92 F CB -1.150 37.866 39.000 0.028 0.000 0.995 92 F HN -0.341 nan 8.300 nan 0.000 0.472 93 V N 1.117 121.192 119.914 0.268 0.000 2.278 93 V HA -0.385 3.739 4.120 0.007 0.000 0.251 93 V C 2.432 178.585 176.094 0.098 0.000 1.062 93 V CA 2.196 64.597 62.300 0.167 0.000 1.038 93 V CB -0.812 31.117 31.823 0.178 0.000 0.646 93 V HN 0.358 nan 8.190 nan 0.000 0.447 94 I N -0.767 119.863 120.570 0.099 0.000 2.053 94 I HA -0.355 3.819 4.170 0.007 0.000 0.236 94 I C 2.470 178.622 176.117 0.057 0.000 1.038 94 I CA 2.200 63.546 61.300 0.077 0.000 1.304 94 I CB -0.472 37.577 38.000 0.082 0.000 1.023 94 I HN 0.288 nan 8.210 nan 0.000 0.395 95 L N 0.545 121.801 121.223 0.056 0.000 2.042 95 L HA -0.262 4.083 4.340 0.007 0.000 0.210 95 L C 2.604 179.470 176.870 -0.006 0.000 1.076 95 L CA 1.501 56.357 54.840 0.027 0.000 0.749 95 L CB -0.225 41.845 42.059 0.017 0.000 0.893 95 L HN 0.273 nan 8.230 nan 0.000 0.432 96 L N -0.445 120.744 121.223 -0.056 0.000 2.129 96 L HA -0.311 4.033 4.340 0.007 0.000 0.212 96 L C 2.420 179.287 176.870 -0.004 0.000 1.087 96 L CA 1.500 56.302 54.840 -0.064 0.000 0.757 96 L CB -0.457 41.555 42.059 -0.078 0.000 0.896 96 L HN 0.359 nan 8.230 nan 0.000 0.434 97 I N -0.713 119.868 120.570 0.018 0.000 2.286 97 I HA -0.269 3.906 4.170 0.007 0.000 0.245 97 I C 2.338 178.470 176.117 0.024 0.000 1.104 97 I CA 0.970 62.282 61.300 0.019 0.000 1.397 97 I CB -0.152 37.862 38.000 0.023 0.000 1.072 97 I HN 0.202 nan 8.210 nan 0.000 0.417 98 L N 0.526 121.777 121.223 0.047 0.000 2.261 98 L HA -0.213 4.131 4.340 0.007 0.000 0.216 98 L C 2.348 179.284 176.870 0.110 0.000 1.114 98 L CA 1.343 56.233 54.840 0.083 0.000 0.777 98 L CB -0.305 41.838 42.059 0.141 0.000 0.910 98 L HN 0.300 nan 8.230 nan 0.000 0.440 99 I N -0.855 119.767 120.570 0.087 0.000 2.400 99 I HA -0.150 4.024 4.170 0.007 0.000 0.248 99 I C 2.730 178.871 176.117 0.040 0.000 1.109 99 I CA 0.849 62.206 61.300 0.095 0.000 1.425 99 I CB -0.351 37.679 38.000 0.050 0.000 1.094 99 I HN 0.125 nan 8.210 nan 0.000 0.425 100 A N 1.276 124.105 122.820 0.014 0.000 1.902 100 A HA -0.195 4.130 4.320 0.007 0.000 0.217 100 A C 2.042 179.616 177.584 -0.017 0.000 1.181 100 A CA 1.757 53.791 52.037 -0.006 0.000 0.623 100 A CB -0.665 18.327 19.000 -0.013 0.000 0.818 100 A HN 0.422 nan 8.150 nan 0.000 0.443 101 N N 0.517 119.202 118.700 -0.025 0.000 2.188 101 N HA -0.100 4.645 4.740 0.007 0.000 0.184 101 N C 1.904 177.363 175.510 -0.085 0.000 1.018 101 N CA 1.414 54.434 53.050 -0.050 0.000 0.858 101 N CB -0.479 37.975 38.487 -0.056 0.000 0.989 101 N HN 0.497 nan 8.380 nan 0.000 0.426 102 A N 1.829 124.584 122.820 -0.109 0.000 1.841 102 A HA -0.039 4.286 4.320 0.007 0.000 0.214 102 A C 2.360 179.912 177.584 -0.053 0.000 1.195 102 A CA 0.794 52.724 52.037 -0.177 0.000 0.611 102 A CB -0.725 18.183 19.000 -0.152 0.000 0.835 102 A HN 0.123 nan 8.150 nan 0.000 0.443 103 I N -0.278 120.293 120.570 0.002 0.000 2.099 103 I HA -0.267 3.907 4.170 0.007 0.000 0.239 103 I C 2.443 178.592 176.117 0.052 0.000 1.066 103 I CA 1.649 62.969 61.300 0.034 0.000 1.324 103 I CB -0.542 37.469 38.000 0.018 0.000 1.037 103 I HN 0.173 nan 8.210 nan 0.000 0.401 104 V N 1.147 121.074 119.914 0.022 0.000 2.252 104 V HA -0.281 3.843 4.120 0.007 0.000 0.249 104 V C 2.587 178.737 176.094 0.093 0.000 1.056 104 V CA 2.352 64.677 62.300 0.042 0.000 1.022 104 V CB -1.653 30.171 31.823 0.001 0.000 0.641 104 V HN 0.627 nan 8.190 nan 0.000 0.445 105 G N -0.184 108.638 108.800 0.036 0.000 2.480 105 G HA2 -0.242 3.722 3.960 0.007 0.000 0.216 105 G HA3 -0.242 3.722 3.960 0.007 0.000 0.216 105 G C 1.693 176.624 174.900 0.052 0.000 1.200 105 G CA 1.348 46.464 45.100 0.027 0.000 0.782 105 G HN 0.361 nan 8.290 nan 0.000 0.554 106 V N -0.311 119.630 119.914 0.045 0.000 2.278 106 V HA -0.231 3.894 4.120 0.007 0.000 0.251 106 V C 2.281 178.432 176.094 0.094 0.000 1.062 106 V CA 2.035 64.368 62.300 0.054 0.000 1.038 106 V CB -0.721 31.142 31.823 0.066 0.000 0.646 106 V HN 0.637 nan 8.190 nan 0.000 0.447 107 W N 0.448 121.736 121.300 -0.019 0.000 2.389 107 W HA -0.195 4.470 4.660 0.008 0.000 0.267 107 W C 2.238 178.749 176.519 -0.013 0.000 1.219 107 W CA 1.667 59.004 57.345 -0.012 0.000 1.189 107 W CB -0.048 29.406 29.460 -0.010 0.000 1.129 107 W HN 0.256 nan 8.180 nan 0.000 0.581 108 Q N 0.132 119.919 119.800 -0.022 0.000 2.280 108 Q HA -0.022 4.323 4.340 0.007 0.000 0.201 108 Q C 0.080 175.969 176.000 -0.186 0.000 0.890 108 Q CA 0.119 55.812 55.803 -0.184 0.000 0.947 108 Q CB 0.143 28.880 28.738 -0.001 0.000 1.081 108 Q HN 0.019 nan 8.270 nan 0.000 0.502 109 E N 1.396 121.503 120.200 -0.154 0.000 1.858 109 E HA 0.007 4.362 4.350 0.007 0.000 0.278 109 E C -0.296 176.205 176.600 -0.164 0.000 1.172 109 E CA 0.222 56.549 56.400 -0.121 0.000 1.127 109 E CB -0.211 29.442 29.700 -0.078 0.000 1.084 109 E HN 0.126 nan 8.360 nan 0.000 0.455 110 R N 2.183 122.578 120.500 -0.175 0.000 4.518 110 R HA 0.091 4.435 4.340 0.007 0.000 0.243 110 R C 0.607 176.835 176.300 -0.120 0.000 1.720 110 R CA -0.046 55.946 56.100 -0.179 0.000 1.526 110 R CB -0.372 29.806 30.300 -0.202 0.000 1.425 110 R HN 0.374 nan 8.270 nan 0.000 0.787 111 N N -0.516 118.124 118.700 -0.099 0.000 2.320 111 N HA 0.052 4.796 4.740 0.007 0.000 0.237 111 N C 1.144 176.609 175.510 -0.074 0.000 1.129 111 N CA 0.005 53.011 53.050 -0.074 0.000 0.854 111 N CB 0.706 39.156 38.487 -0.061 0.000 1.083 111 N HN 0.079 nan 8.380 nan 0.000 0.504 112 A N 1.485 124.249 122.820 -0.093 0.000 1.968 112 A HA -0.308 4.017 4.320 0.007 0.000 0.227 112 A C 0.851 178.398 177.584 -0.061 0.000 1.381 112 A CA 1.817 53.804 52.037 -0.084 0.000 0.697 112 A CB -0.592 18.355 19.000 -0.088 0.000 0.836 112 A HN 0.797 nan 8.150 nan 0.000 0.497 113 E N -1.560 118.607 120.200 -0.054 0.000 2.263 113 E HA 0.529 4.884 4.350 0.007 0.000 0.264 113 E C -0.779 175.801 176.600 -0.034 0.000 0.923 113 E CA -1.039 55.336 56.400 -0.041 0.000 0.802 113 E CB 0.549 30.227 29.700 -0.036 0.000 1.228 113 E HN 0.297 nan 8.360 nan 0.000 0.417 114 N N 0.115 118.798 118.700 -0.029 0.000 2.416 114 N HA 0.135 4.880 4.740 0.007 0.000 0.265 114 N C 0.120 175.622 175.510 -0.013 0.000 1.195 114 N CA 0.144 53.181 53.050 -0.022 0.000 0.943 114 N CB 0.798 39.273 38.487 -0.020 0.000 1.115 114 N HN 0.647 nan 8.380 nan 0.000 0.481 115 A N 4.246 127.058 122.820 -0.012 0.000 1.975 115 A HA -0.007 4.317 4.320 0.007 0.000 0.215 115 A C 1.936 179.524 177.584 0.006 0.000 1.170 115 A CA 0.537 52.572 52.037 -0.003 0.000 0.656 115 A CB -0.150 18.844 19.000 -0.010 0.000 0.821 115 A HN 0.635 nan 8.150 nan 0.000 0.449 116 I N 0.587 121.156 120.570 -0.002 0.000 2.208 116 I HA -0.244 3.930 4.170 0.007 0.000 0.245 116 I C 2.474 178.600 176.117 0.013 0.000 1.097 116 I CA 1.931 63.233 61.300 0.004 0.000 1.363 116 I CB -1.108 36.889 38.000 -0.005 0.000 1.051 116 I HN 0.605 nan 8.210 nan 0.000 0.413 117 E N 1.390 121.593 120.200 0.005 0.000 2.031 117 E HA -0.229 4.125 4.350 0.007 0.000 0.193 117 E C 2.288 178.898 176.600 0.017 0.000 0.994 117 E CA 1.607 58.009 56.400 0.004 0.000 0.800 117 E CB 0.021 29.716 29.700 -0.009 0.000 0.752 117 E HN 0.378 nan 8.360 nan 0.000 0.447 118 A N 1.370 124.203 122.820 0.022 0.000 1.927 118 A HA -0.224 4.100 4.320 0.007 0.000 0.220 118 A C 2.190 179.842 177.584 0.113 0.000 1.185 118 A CA 1.706 53.769 52.037 0.043 0.000 0.639 118 A CB -0.789 18.238 19.000 0.045 0.000 0.820 118 A HN 0.411 nan 8.150 nan 0.000 0.451 119 L N -0.157 121.136 121.223 0.118 0.000 2.005 119 L HA -0.120 4.224 4.340 0.007 0.000 0.207 119 L C 2.190 179.189 176.870 0.214 0.000 1.072 119 L CA 2.359 57.310 54.840 0.186 0.000 0.744 119 L CB -0.579 41.526 42.059 0.076 0.000 0.895 119 L HN 0.364 nan 8.230 nan 0.000 0.433 120 K N -0.403 120.058 120.400 0.101 0.000 2.362 120 K HA -0.258 4.066 4.320 0.007 0.000 0.202 120 K C 1.866 178.495 176.600 0.048 0.000 1.045 120 K CA 1.399 57.729 56.287 0.071 0.000 0.936 120 K CB -0.225 32.293 32.500 0.031 0.000 0.747 120 K HN 0.477 nan 8.250 nan 0.000 0.467 121 E N -0.171 120.037 120.200 0.013 0.000 2.401 121 E HA -0.159 4.195 4.350 0.007 0.000 0.199 121 E C 0.615 177.085 176.600 -0.216 0.000 1.023 121 E CA 0.729 57.059 56.400 -0.118 0.000 0.859 121 E CB 0.109 29.693 29.700 -0.193 0.000 0.780 121 E HN 0.398 nan 8.360 nan 0.000 0.523 122 Y N 0.735 121.032 120.300 -0.005 0.000 2.466 122 Y HA 0.072 4.626 4.550 0.008 0.000 0.272 122 Y C 0.104 176.005 175.900 0.002 0.000 1.169 122 Y CA 0.035 58.134 58.100 -0.001 0.000 1.285 122 Y CB 0.403 38.863 38.460 -0.000 0.000 1.078 122 Y HN 0.013 nan 8.280 nan 0.000 0.523 123 E N 2.468 122.729 120.200 0.102 0.000 2.081 123 E HA 0.237 4.591 4.350 0.007 0.000 0.281 123 E C -2.604 174.011 176.600 0.026 0.000 0.986 123 E CA -2.242 54.197 56.400 0.066 0.000 0.796 123 E CB 0.673 30.406 29.700 0.056 0.000 1.085 123 E HN 0.044 nan 8.360 nan 0.000 0.398 124 P HA -0.110 nan 4.420 nan 0.000 0.271 124 P C 0.135 177.436 177.300 0.001 0.000 1.238 124 P CA 0.041 63.143 63.100 0.004 0.000 0.794 124 P CB 1.214 32.919 31.700 0.007 0.000 0.959 125 E N -0.370 119.825 120.200 -0.007 0.000 2.075 125 E HA 0.003 4.357 4.350 0.007 0.000 0.190 125 E C 0.398 176.995 176.600 -0.005 0.000 0.969 125 E CA 0.616 57.012 56.400 -0.007 0.000 0.815 125 E CB 0.106 29.799 29.700 -0.013 0.000 0.776 125 E HN 0.312 nan 8.360 nan 0.000 0.457 126 M N 0.157 119.751 119.600 -0.010 0.000 2.598 126 M HA 0.510 4.994 4.480 0.007 0.000 0.317 126 M C 0.226 176.516 176.300 -0.016 0.000 1.201 126 M CA -0.591 54.701 55.300 -0.014 0.000 0.971 126 M CB 1.430 34.018 32.600 -0.020 0.000 1.657 126 M HN 0.091 nan 8.290 nan 0.000 0.470 127 G N 0.960 109.745 108.800 -0.025 0.000 2.660 127 G HA2 0.665 4.629 3.960 0.007 0.000 0.294 127 G HA3 0.665 4.629 3.960 0.007 0.000 0.294 127 G C -1.502 173.366 174.900 -0.053 0.000 1.369 127 G CA -0.762 44.319 45.100 -0.032 0.000 0.912 127 G HN 0.568 nan 8.290 nan 0.000 0.479 128 K N 0.601 120.961 120.400 -0.067 0.000 2.339 128 K HA 0.567 4.891 4.320 0.007 0.000 0.264 128 K C -0.306 176.209 176.600 -0.141 0.000 0.986 128 K CA -0.701 55.517 56.287 -0.116 0.000 0.866 128 K CB 2.164 34.592 32.500 -0.120 0.000 1.103 128 K HN 0.530 nan 8.250 nan 0.000 0.441 129 V N 0.140 119.947 119.914 -0.177 0.000 2.960 129 V HA 0.572 4.696 4.120 0.007 0.000 0.315 129 V C -1.339 174.609 176.094 -0.243 0.000 1.087 129 V CA -0.921 61.293 62.300 -0.143 0.000 0.982 129 V CB 1.230 33.012 31.823 -0.069 0.000 1.039 129 V HN 0.618 nan 8.190 nan 0.000 0.437 130 Y N 1.778 122.060 120.300 -0.030 0.000 2.335 130 Y HA 0.802 5.356 4.550 0.007 0.000 0.338 130 Y C 0.537 176.418 175.900 -0.032 0.000 0.977 130 Y CA -0.459 57.626 58.100 -0.025 0.000 1.114 130 Y CB 1.996 40.443 38.460 -0.021 0.000 1.182 130 Y HN 0.628 nan 8.280 nan 0.000 0.463 131 R N 0.899 121.469 120.500 0.116 0.000 2.837 131 R HA 0.608 4.952 4.340 0.007 0.000 0.271 131 R C 0.594 176.924 176.300 0.051 0.000 0.993 131 R CA -0.528 55.603 56.100 0.051 0.000 0.931 131 R CB 1.662 31.966 30.300 0.007 0.000 1.206 131 R HN 0.778 nan 8.270 nan 0.000 0.474 132 A N 1.234 124.069 122.820 0.025 0.000 1.927 132 A HA -0.276 4.049 4.320 0.007 0.000 0.220 132 A C 1.299 178.896 177.584 0.022 0.000 1.185 132 A CA 2.455 54.504 52.037 0.021 0.000 0.639 132 A CB -0.836 18.168 19.000 0.007 0.000 0.820 132 A HN 0.898 nan 8.150 nan 0.000 0.451 133 D N -1.262 119.148 120.400 0.016 0.000 2.390 133 D HA 0.045 4.689 4.640 0.007 0.000 0.235 133 D C 0.608 176.920 176.300 0.019 0.000 1.040 133 D CA 0.460 54.468 54.000 0.013 0.000 0.923 133 D CB -0.189 40.615 40.800 0.006 0.000 0.886 133 D HN 0.548 nan 8.370 nan 0.000 0.532 134 R N -1.349 119.172 120.500 0.034 0.000 2.664 134 R HA 0.256 4.601 4.340 0.007 0.000 0.266 134 R C 0.478 176.826 176.300 0.078 0.000 1.046 134 R CA -0.891 55.235 56.100 0.042 0.000 0.885 134 R CB 1.214 31.532 30.300 0.029 0.000 1.254 134 R HN -0.184 nan 8.270 nan 0.000 0.465 135 K N 0.265 120.712 120.400 0.077 0.000 2.168 135 K HA 0.172 4.497 4.320 0.007 0.000 0.201 135 K C 0.487 177.197 176.600 0.183 0.000 1.049 135 K CA 0.464 56.813 56.287 0.103 0.000 0.974 135 K CB 0.080 32.616 32.500 0.060 0.000 0.792 135 K HN 0.310 nan 8.250 nan 0.000 0.463 136 S N 1.901 117.672 115.700 0.119 0.000 2.572 136 S HA 0.079 4.554 4.470 0.007 0.000 0.279 136 S C 0.205 174.822 174.600 0.028 0.000 1.341 136 S CA -0.546 57.716 58.200 0.103 0.000 1.043 136 S CB 1.485 64.706 63.200 0.033 0.000 0.887 136 S HN 0.122 nan 8.310 nan 0.000 0.516 137 V N 2.546 122.374 119.914 -0.143 0.000 2.963 137 V HA 0.161 4.285 4.120 0.007 0.000 0.306 137 V C -0.216 175.682 176.094 -0.327 0.000 1.077 137 V CA 0.279 62.178 62.300 -0.669 0.000 1.124 137 V CB 1.044 32.342 31.823 -0.875 0.000 0.987 137 V HN 0.892 nan 8.190 nan 0.000 0.487 138 Q N 5.247 124.857 119.800 -0.318 0.000 2.342 138 Q HA 0.568 4.913 4.340 0.007 0.000 0.267 138 Q C -1.104 174.807 176.000 -0.148 0.000 1.038 138 Q CA -0.805 54.897 55.803 -0.168 0.000 0.832 138 Q CB 1.990 30.660 28.738 -0.113 0.000 1.323 138 Q HN 0.582 nan 8.270 nan 0.000 0.448 139 R N 2.962 123.403 120.500 -0.098 0.000 2.215 139 R HA 0.416 4.760 4.340 0.007 0.000 0.337 139 R C -0.108 176.160 176.300 -0.052 0.000 1.010 139 R CA -0.122 55.933 56.100 -0.075 0.000 0.871 139 R CB -0.011 30.254 30.300 -0.058 0.000 1.134 139 R HN 0.690 nan 8.270 nan 0.000 0.477 140 I N -1.307 119.235 120.570 -0.048 0.000 3.217 140 I HA 0.569 4.743 4.170 0.007 0.000 0.308 140 I C -0.478 175.629 176.117 -0.016 0.000 1.091 140 I CA -1.580 59.703 61.300 -0.028 0.000 1.013 140 I CB 1.115 39.099 38.000 -0.026 0.000 1.250 140 I HN 0.016 nan 8.210 nan 0.000 0.496 141 K N 1.765 122.165 120.400 -0.001 0.000 2.350 141 K HA 0.351 4.675 4.320 0.007 0.000 0.279 141 K C 0.766 177.374 176.600 0.013 0.000 1.027 141 K CA 0.392 56.684 56.287 0.008 0.000 0.969 141 K CB 1.114 33.627 32.500 0.022 0.000 0.954 141 K HN 0.664 nan 8.250 nan 0.000 0.474 142 A N 3.612 126.439 122.820 0.012 0.000 1.978 142 A HA -0.223 4.102 4.320 0.007 0.000 0.220 142 A C 1.738 179.342 177.584 0.034 0.000 1.170 142 A CA 1.646 53.691 52.037 0.014 0.000 0.636 142 A CB -0.516 18.492 19.000 0.013 0.000 0.810 142 A HN 0.816 nan 8.150 nan 0.000 0.448 143 R N -0.961 119.572 120.500 0.056 0.000 2.339 143 R HA -0.004 4.340 4.340 0.007 0.000 0.199 143 R C -0.142 176.249 176.300 0.152 0.000 1.018 143 R CA 1.283 57.447 56.100 0.108 0.000 1.036 143 R CB -0.302 30.064 30.300 0.109 0.000 0.899 143 R HN 0.224 nan 8.270 nan 0.000 0.473 144 D N 1.334 121.788 120.400 0.089 0.000 2.349 144 D HA 0.095 4.740 4.640 0.007 0.000 0.214 144 D C 0.733 177.031 176.300 -0.003 0.000 1.063 144 D CA -0.033 54.002 54.000 0.058 0.000 0.847 144 D CB 0.240 41.070 40.800 0.050 0.000 0.933 144 D HN 0.404 nan 8.370 nan 0.000 0.513 145 I N 0.099 120.666 120.570 -0.004 0.000 2.581 145 I HA 0.298 4.473 4.170 0.007 0.000 0.288 145 I C -0.065 176.031 176.117 -0.035 0.000 1.047 145 I CA -0.648 60.635 61.300 -0.029 0.000 1.374 145 I CB 1.215 39.194 38.000 -0.035 0.000 1.423 145 I HN -0.221 nan 8.210 nan 0.000 0.549 146 V N 2.401 122.288 119.914 -0.045 0.000 3.074 146 V HA 0.749 4.874 4.120 0.007 0.000 0.314 146 V C -2.732 173.287 176.094 -0.126 0.000 1.117 146 V CA -2.627 59.658 62.300 -0.026 0.000 1.014 146 V CB 1.092 32.974 31.823 0.099 0.000 1.057 146 V HN 0.709 nan 8.190 nan 0.000 0.438 147 P HA 0.389 nan 4.420 nan 0.000 0.266 147 P C 0.925 177.819 177.300 -0.677 0.000 1.195 147 P CA 1.902 64.675 63.100 -0.545 0.000 0.768 147 P CB 0.831 32.103 31.700 -0.713 0.000 0.838 148 G N 2.058 110.155 108.800 -1.172 0.000 2.349 148 G HA2 -0.174 3.791 3.960 0.007 0.000 0.213 148 G HA3 -0.174 3.791 3.960 0.007 0.000 0.213 148 G C -0.269 174.445 174.900 -0.310 0.000 1.044 148 G CA 0.079 44.661 45.100 -0.864 0.000 0.633 148 G HN 0.685 nan 8.290 nan 0.000 0.506 149 D N 2.208 122.473 120.400 -0.224 0.000 2.304 149 D HA 0.481 5.125 4.640 0.007 0.000 0.247 149 D C 0.807 177.064 176.300 -0.072 0.000 1.089 149 D CA -0.804 53.127 54.000 -0.115 0.000 0.910 149 D CB 0.678 41.425 40.800 -0.089 0.000 1.199 149 D HN 0.245 nan 8.370 nan 0.000 0.426 150 I N 1.201 121.769 120.570 -0.004 0.000 2.618 150 I HA 0.096 4.270 4.170 0.007 0.000 0.284 150 I C 0.365 176.529 176.117 0.078 0.000 1.146 150 I CA -0.343 60.985 61.300 0.047 0.000 1.425 150 I CB 0.423 38.480 38.000 0.096 0.000 1.383 150 I HN 0.246 nan 8.210 nan 0.000 0.562 151 V N 5.933 125.883 119.914 0.060 0.000 2.914 151 V HA 0.465 4.589 4.120 0.007 0.000 0.314 151 V C -0.180 175.961 176.094 0.078 0.000 1.084 151 V CA -0.799 61.525 62.300 0.040 0.000 0.963 151 V CB 2.667 34.482 31.823 -0.014 0.000 1.025 151 V HN 0.798 nan 8.190 nan 0.000 0.432 152 E N 1.637 121.869 120.200 0.053 0.000 2.248 152 E HA 0.736 5.090 4.350 0.007 0.000 0.267 152 E C -1.544 175.069 176.600 0.022 0.000 0.877 152 E CA -0.544 55.900 56.400 0.073 0.000 0.759 152 E CB 2.286 32.068 29.700 0.137 0.000 1.182 152 E HN 0.647 nan 8.360 nan 0.000 0.418 153 V N 0.236 120.164 119.914 0.023 0.000 3.040 153 V HA 1.058 5.182 4.120 0.007 0.000 0.312 153 V C -0.834 175.270 176.094 0.017 0.000 1.115 153 V CA -0.295 62.011 62.300 0.010 0.000 0.998 153 V CB 1.278 33.101 31.823 0.000 0.000 1.042 153 V HN 0.872 nan 8.190 nan 0.000 0.433 154 A N 1.438 124.266 122.820 0.013 0.000 2.586 154 A HA 0.812 5.137 4.320 0.007 0.000 0.290 154 A C -0.252 177.340 177.584 0.015 0.000 1.086 154 A CA -0.213 51.834 52.037 0.017 0.000 0.665 154 A CB 1.142 20.154 19.000 0.021 0.000 1.279 154 A HN 2.530 nan 8.150 nan 0.000 0.423 155 V N -0.496 119.428 119.914 0.018 0.000 2.890 155 V HA 0.288 4.412 4.120 0.007 0.000 0.294 155 V C 1.395 177.497 176.094 0.013 0.000 1.165 155 V CA 1.264 63.573 62.300 0.016 0.000 1.302 155 V CB -0.880 30.954 31.823 0.019 0.000 0.820 155 V HN 2.906 nan 8.190 nan 0.000 0.468 156 G N 2.782 111.590 108.800 0.012 0.000 2.317 156 G HA2 -0.225 3.740 3.960 0.007 0.000 0.227 156 G HA3 -0.225 3.740 3.960 0.007 0.000 0.227 156 G C -0.054 174.852 174.900 0.010 0.000 1.042 156 G CA 0.170 45.276 45.100 0.010 0.000 0.623 156 G HN 0.942 nan 8.290 nan 0.000 0.509 157 D N 0.962 121.367 120.400 0.009 0.000 2.400 157 D HA 0.401 5.045 4.640 0.007 0.000 0.238 157 D C 0.530 176.840 176.300 0.017 0.000 1.157 157 D CA 0.457 54.462 54.000 0.008 0.000 0.889 157 D CB 0.871 41.674 40.800 0.004 0.000 1.199 157 D HN 0.495 nan 8.370 nan 0.000 0.436 158 K N 1.374 121.785 120.400 0.019 0.000 2.334 158 K HA 0.264 4.588 4.320 0.007 0.000 0.265 158 K C -0.924 175.695 176.600 0.032 0.000 1.039 158 K CA -0.713 55.595 56.287 0.035 0.000 0.920 158 K CB 0.647 33.172 32.500 0.041 0.000 1.160 158 K HN 0.133 nan 8.250 nan 0.000 0.451 159 V N 7.257 127.190 119.914 0.032 0.000 2.717 159 V HA -0.079 4.046 4.120 0.007 0.000 0.302 159 V C -1.174 174.935 176.094 0.025 0.000 1.097 159 V CA -0.389 61.922 62.300 0.018 0.000 1.262 159 V CB 0.418 32.252 31.823 0.018 0.000 0.846 159 V HN 0.854 nan 8.190 nan 0.000 0.485 160 P HA 0.197 nan 4.420 nan 0.000 0.235 160 P C 0.192 177.496 177.300 0.006 0.000 1.177 160 P CA 1.178 64.283 63.100 0.009 0.000 0.785 160 P CB 0.661 32.358 31.700 -0.005 0.000 0.885 161 A N -0.673 122.144 122.820 -0.005 0.000 2.567 161 A HA 0.402 4.726 4.320 0.007 0.000 0.291 161 A C -1.723 175.843 177.584 -0.030 0.000 1.048 161 A CA -0.644 51.386 52.037 -0.011 0.000 0.661 161 A CB -0.069 18.910 19.000 -0.035 0.000 1.288 161 A HN -0.205 nan 8.150 nan 0.000 0.424 162 D N 0.500 120.888 120.400 -0.021 0.000 2.401 162 D HA 0.499 5.143 4.640 0.007 0.000 0.254 162 D C -0.384 175.839 176.300 -0.128 0.000 1.192 162 D CA 1.285 55.246 54.000 -0.065 0.000 0.885 162 D CB 0.186 40.998 40.800 0.019 0.000 1.147 162 D HN 0.420 nan 8.370 nan 0.000 0.478 163 I N 1.657 122.104 120.570 -0.205 0.000 2.730 163 I HA 0.365 4.539 4.170 0.007 0.000 0.298 163 I C -0.170 175.838 176.117 -0.182 0.000 1.089 163 I CA -1.214 59.987 61.300 -0.164 0.000 1.041 163 I CB 2.069 39.991 38.000 -0.129 0.000 1.235 163 I HN 0.033 nan 8.210 nan 0.000 0.423 164 R N 5.717 126.151 120.500 -0.110 0.000 2.215 164 R HA 0.511 4.855 4.340 0.007 0.000 0.336 164 R C -1.064 175.199 176.300 -0.061 0.000 0.996 164 R CA -0.308 55.745 56.100 -0.079 0.000 0.847 164 R CB 0.178 30.463 30.300 -0.025 0.000 1.127 164 R HN 0.504 nan 8.270 nan 0.000 0.465 165 I N 6.737 127.264 120.570 -0.073 0.000 2.668 165 I HA -0.086 4.088 4.170 0.007 0.000 0.285 165 I C 0.797 176.907 176.117 -0.011 0.000 1.168 165 I CA 0.359 61.631 61.300 -0.046 0.000 1.424 165 I CB 0.522 38.489 38.000 -0.054 0.000 1.377 165 I HN 0.666 nan 8.210 nan 0.000 0.560 166 L N 4.061 125.282 121.223 -0.003 0.000 2.500 166 L HA 0.226 4.571 4.340 0.007 0.000 0.219 166 L C 0.772 177.648 176.870 0.011 0.000 1.057 166 L CA 0.429 55.273 54.840 0.008 0.000 0.854 166 L CB 0.130 42.192 42.059 0.005 0.000 1.078 166 L HN 0.632 nan 8.230 nan 0.000 0.480 167 S N -0.200 115.504 115.700 0.007 0.000 2.563 167 S HA 0.535 5.010 4.470 0.007 0.000 0.279 167 S C -1.236 173.372 174.600 0.013 0.000 1.155 167 S CA -0.540 57.666 58.200 0.009 0.000 0.928 167 S CB 1.193 64.392 63.200 -0.002 0.000 1.107 167 S HN 0.072 nan 8.310 nan 0.000 0.462 168 I N 5.587 126.170 120.570 0.021 0.000 2.330 168 I HA 0.390 4.564 4.170 0.007 0.000 0.289 168 I C 0.742 176.874 176.117 0.025 0.000 1.001 168 I CA -0.791 60.525 61.300 0.026 0.000 1.193 168 I CB 1.623 39.645 38.000 0.038 0.000 1.345 168 I HN 0.562 nan 8.210 nan 0.000 0.461 169 K N 3.086 123.501 120.400 0.026 0.000 2.098 169 K HA 0.066 4.390 4.320 0.007 0.000 0.203 169 K C 0.918 177.537 176.600 0.032 0.000 1.051 169 K CA 0.581 56.883 56.287 0.025 0.000 0.957 169 K CB -0.406 32.110 32.500 0.027 0.000 0.738 169 K HN 0.634 nan 8.250 nan 0.000 0.447 170 S N 1.098 116.822 115.700 0.041 0.000 2.589 170 S HA 0.003 4.477 4.470 0.007 0.000 0.265 170 S C 1.449 176.083 174.600 0.058 0.000 1.342 170 S CA 0.200 58.432 58.200 0.053 0.000 1.005 170 S CB 0.707 63.941 63.200 0.056 0.000 0.909 170 S HN 0.450 nan 8.310 nan 0.000 0.555 171 T N -2.176 112.422 114.554 0.074 0.000 3.007 171 T HA 0.091 4.445 4.350 0.007 0.000 0.270 171 T C 0.690 175.450 174.700 0.099 0.000 1.107 171 T CA 1.104 63.247 62.100 0.071 0.000 1.118 171 T CB -0.809 68.111 68.868 0.087 0.000 0.889 171 T HN 1.070 nan 8.240 nan 0.000 0.506 172 T N -0.739 113.880 114.554 0.108 0.000 2.885 172 T HA 0.561 4.915 4.350 0.007 0.000 0.322 172 T C -1.989 172.757 174.700 0.077 0.000 1.387 172 T CA -1.061 61.110 62.100 0.119 0.000 1.041 172 T CB 1.564 70.542 68.868 0.183 0.000 1.287 172 T HN 0.142 nan 8.240 nan 0.000 0.491 173 L N 2.886 124.145 121.223 0.060 0.000 2.305 173 L HA 0.700 5.045 4.340 0.007 0.000 0.284 173 L C -0.445 176.434 176.870 0.015 0.000 1.013 173 L CA -0.502 54.358 54.840 0.032 0.000 0.819 173 L CB 1.166 43.237 42.059 0.021 0.000 1.227 173 L HN 0.655 nan 8.230 nan 0.000 0.417 174 R N 5.195 125.698 120.500 0.006 0.000 2.246 174 R HA 0.591 4.936 4.340 0.007 0.000 0.332 174 R C -1.132 175.167 176.300 -0.002 0.000 0.974 174 R CA -0.646 55.447 56.100 -0.011 0.000 0.837 174 R CB 1.406 31.692 30.300 -0.023 0.000 1.145 174 R HN 0.400 nan 8.270 nan 0.000 0.467 175 V N 1.873 121.788 119.914 0.001 0.000 2.769 175 V HA 0.196 4.321 4.120 0.007 0.000 0.312 175 V C -0.293 175.812 176.094 0.019 0.000 1.058 175 V CA -0.754 61.555 62.300 0.014 0.000 0.952 175 V CB 2.330 34.166 31.823 0.021 0.000 1.019 175 V HN 0.601 nan 8.190 nan 0.000 0.445 176 D N 2.604 123.021 120.400 0.028 0.000 2.461 176 D HA 0.319 4.963 4.640 0.007 0.000 0.240 176 D C 0.247 176.570 176.300 0.039 0.000 1.094 176 D CA -0.422 53.596 54.000 0.029 0.000 0.868 176 D CB 1.104 41.922 40.800 0.029 0.000 1.062 176 D HN 0.615 nan 8.370 nan 0.000 0.530 177 Q N 2.129 121.950 119.800 0.035 0.000 2.241 177 Q HA 0.161 4.505 4.340 0.007 0.000 0.296 177 Q C 0.699 176.690 176.000 -0.013 0.000 0.889 177 Q CA -0.394 55.427 55.803 0.029 0.000 1.089 177 Q CB 0.341 29.119 28.738 0.066 0.000 1.195 177 Q HN 0.354 nan 8.270 nan 0.000 0.451 178 S N 0.552 116.246 115.700 -0.010 0.000 2.399 178 S HA -0.186 4.288 4.470 0.007 0.000 0.231 178 S C 1.659 176.220 174.600 -0.065 0.000 1.022 178 S CA 0.867 59.052 58.200 -0.026 0.000 0.983 178 S CB -0.517 62.680 63.200 -0.004 0.000 0.803 178 S HN 0.436 nan 8.310 nan 0.000 0.480 179 I N 0.639 121.157 120.570 -0.087 0.000 2.623 179 I HA -0.005 4.170 4.170 0.007 0.000 0.261 179 I C 1.474 177.479 176.117 -0.187 0.000 1.204 179 I CA 0.856 62.043 61.300 -0.188 0.000 1.444 179 I CB -0.685 37.158 38.000 -0.261 0.000 1.094 179 I HN 0.274 nan 8.210 nan 0.000 0.451 180 L N -0.933 120.203 121.223 -0.146 0.000 3.086 180 L HA 0.214 4.558 4.340 0.007 0.000 0.274 180 L C 1.342 178.127 176.870 -0.141 0.000 1.184 180 L CA 0.895 55.631 54.840 -0.174 0.000 1.002 180 L CB -0.198 41.713 42.059 -0.247 0.000 1.383 180 L HN 0.439 nan 8.230 nan 0.000 0.582 181 T N -6.593 107.903 114.554 -0.096 0.000 3.131 181 T HA 0.307 4.661 4.350 0.007 0.000 0.283 181 T C 1.281 175.955 174.700 -0.044 0.000 0.906 181 T CA 0.448 62.509 62.100 -0.064 0.000 0.882 181 T CB 0.542 69.381 68.868 -0.048 0.000 1.208 181 T HN 0.168 nan 8.240 nan 0.000 0.561 182 G N 1.913 110.684 108.800 -0.049 0.000 2.166 182 G HA2 -0.203 3.761 3.960 0.007 0.000 0.260 182 G HA3 -0.203 3.761 3.960 0.007 0.000 0.260 182 G C -0.358 174.532 174.900 -0.017 0.000 0.986 182 G CA 0.358 45.438 45.100 -0.033 0.000 0.683 182 G HN 0.660 nan 8.290 nan 0.000 0.527 183 E N 0.152 120.343 120.200 -0.014 0.000 2.191 183 E HA 0.465 4.819 4.350 0.007 0.000 0.263 183 E C 1.025 177.630 176.600 0.008 0.000 0.881 183 E CA 0.006 56.406 56.400 -0.000 0.000 0.757 183 E CB 1.424 31.124 29.700 0.001 0.000 1.147 183 E HN 0.379 nan 8.360 nan 0.000 0.414 184 S N 0.721 116.432 115.700 0.018 0.000 2.489 184 S HA -0.015 4.459 4.470 0.007 0.000 0.228 184 S C 1.085 175.697 174.600 0.020 0.000 0.995 184 S CA -0.205 58.009 58.200 0.024 0.000 0.934 184 S CB -0.175 63.047 63.200 0.037 0.000 0.771 184 S HN 0.276 nan 8.310 nan 0.000 0.522 185 V N 4.124 124.049 119.914 0.018 0.000 2.681 185 V HA 0.058 4.182 4.120 0.007 0.000 0.306 185 V C 0.938 177.033 176.094 0.001 0.000 1.077 185 V CA 0.312 62.618 62.300 0.010 0.000 1.224 185 V CB -0.255 31.575 31.823 0.010 0.000 0.879 185 V HN 0.687 nan 8.190 nan 0.000 0.494 186 S N 5.110 120.802 115.700 -0.013 0.000 2.528 186 S HA 0.497 4.972 4.470 0.007 0.000 0.277 186 S C -0.395 174.188 174.600 -0.028 0.000 1.297 186 S CA -0.684 57.505 58.200 -0.019 0.000 1.052 186 S CB 1.255 64.436 63.200 -0.032 0.000 0.917 186 S HN 1.171 nan 8.310 nan 0.000 0.492 187 V N 1.848 121.756 119.914 -0.010 0.000 2.481 187 V HA 0.593 4.717 4.120 0.007 0.000 0.286 187 V C -0.184 175.903 176.094 -0.011 0.000 1.042 187 V CA -1.056 61.242 62.300 -0.004 0.000 0.928 187 V CB 0.526 32.361 31.823 0.020 0.000 0.986 187 V HN 0.884 nan 8.190 nan 0.000 0.462 188 I N 5.686 126.250 120.570 -0.010 0.000 2.291 188 I HA 0.353 4.527 4.170 0.007 0.000 0.292 188 I C 0.632 176.771 176.117 0.036 0.000 1.064 188 I CA -0.339 60.966 61.300 0.007 0.000 1.269 188 I CB 0.553 38.560 38.000 0.011 0.000 1.418 188 I HN 0.640 nan 8.210 nan 0.000 0.485 189 K N 5.118 125.523 120.400 0.008 0.000 2.118 189 K HA 0.452 4.777 4.320 0.007 0.000 0.240 189 K C -0.264 176.349 176.600 0.021 0.000 1.035 189 K CA -0.376 55.880 56.287 -0.052 0.000 0.899 189 K CB 0.857 33.313 32.500 -0.073 0.000 1.085 189 K HN 0.737 nan 8.250 nan 0.000 0.498 190 H N -3.863 115.229 119.070 0.035 0.000 2.905 190 H HA 0.306 4.868 4.556 0.009 0.000 0.280 190 H C -0.270 175.072 175.328 0.023 0.000 1.445 190 H CA -0.666 55.403 56.048 0.034 0.000 1.165 190 H CB 0.557 30.345 29.762 0.043 0.000 1.857 190 H HN 0.480 nan 8.280 nan 0.000 0.567 191 T N -2.559 112.221 114.554 0.377 0.000 3.200 191 T HA 0.281 4.635 4.350 0.007 0.000 0.284 191 T C -0.180 174.681 174.700 0.269 0.000 1.009 191 T CA -0.558 61.678 62.100 0.226 0.000 0.907 191 T CB -0.053 68.877 68.868 0.104 0.000 1.120 191 T HN 0.433 nan 8.240 nan 0.000 0.534 192 E N 3.458 123.940 120.200 0.471 0.000 2.349 192 E HA 0.368 4.722 4.350 0.007 0.000 0.262 192 E C -2.518 174.223 176.600 0.236 0.000 1.088 192 E CA -2.631 53.870 56.400 0.168 0.000 0.899 192 E CB 0.842 30.470 29.700 -0.120 0.000 1.044 192 E HN 0.250 nan 8.360 nan 0.000 0.420 193 P HA 0.054 nan 4.420 nan 0.000 0.271 193 P C -0.286 177.088 177.300 0.123 0.000 1.216 193 P CA -0.146 63.009 63.100 0.092 0.000 0.776 193 P CB 0.620 32.340 31.700 0.033 0.000 0.881 194 V N 6.421 126.416 119.914 0.135 0.000 2.217 194 V HA 0.103 4.227 4.120 0.007 0.000 0.264 194 V C -1.252 174.913 176.094 0.119 0.000 1.107 194 V CA -1.445 60.962 62.300 0.177 0.000 0.913 194 V CB 0.326 32.315 31.823 0.276 0.000 1.153 194 V HN 0.468 nan 8.190 nan 0.000 0.469 195 P HA -0.241 nan 4.420 nan 0.000 0.222 195 P C 0.708 178.038 177.300 0.051 0.000 1.154 195 P CA 1.390 64.512 63.100 0.036 0.000 0.874 195 P CB 0.105 31.829 31.700 0.040 0.000 0.787 196 D N -1.397 119.066 120.400 0.106 0.000 2.363 196 D HA -0.007 4.637 4.640 0.007 0.000 0.263 196 D C -1.450 174.968 176.300 0.198 0.000 1.258 196 D CA -1.471 52.606 54.000 0.129 0.000 0.907 196 D CB 0.716 41.595 40.800 0.132 0.000 1.107 196 D HN 0.041 nan 8.370 nan 0.000 0.495 197 P HA -0.095 nan 4.420 nan 0.000 0.214 197 P C 0.791 178.210 177.300 0.199 0.000 1.163 197 P CA 1.113 64.303 63.100 0.150 0.000 0.883 197 P CB 0.202 31.950 31.700 0.081 0.000 0.788 198 R N -0.391 120.190 120.500 0.135 0.000 2.391 198 R HA 0.253 4.597 4.340 0.007 0.000 0.225 198 R C 0.496 176.858 176.300 0.104 0.000 1.079 198 R CA -0.384 55.782 56.100 0.111 0.000 1.147 198 R CB -0.613 29.743 30.300 0.093 0.000 1.103 198 R HN 0.159 nan 8.270 nan 0.000 0.499 199 A N 0.940 123.831 122.820 0.119 0.000 2.498 199 A HA 0.228 4.553 4.320 0.007 0.000 0.239 199 A C 0.707 178.286 177.584 -0.007 0.000 1.068 199 A CA -0.408 51.669 52.037 0.066 0.000 0.766 199 A CB 0.293 19.343 19.000 0.084 0.000 1.003 199 A HN 0.183 nan 8.150 nan 0.000 0.497 200 V N 0.887 120.812 119.914 0.019 0.000 3.262 200 V HA 0.306 4.430 4.120 0.007 0.000 0.313 200 V C 1.106 177.163 176.094 -0.061 0.000 1.070 200 V CA -0.543 61.754 62.300 -0.005 0.000 1.049 200 V CB 0.633 32.494 31.823 0.063 0.000 1.157 200 V HN 0.848 nan 8.190 nan 0.000 0.454 201 N N 0.656 119.275 118.700 -0.136 0.000 2.104 201 N HA -0.195 4.549 4.740 0.007 0.000 0.190 201 N C 1.586 177.053 175.510 -0.071 0.000 1.024 201 N CA 1.991 54.904 53.050 -0.228 0.000 0.853 201 N CB -0.521 37.671 38.487 -0.493 0.000 1.008 201 N HN 0.829 nan 8.380 nan 0.000 0.424 202 Q N 0.441 120.214 119.800 -0.044 0.000 2.561 202 Q HA -0.053 4.292 4.340 0.007 0.000 0.217 202 Q C 0.577 176.603 176.000 0.043 0.000 0.980 202 Q CA 0.792 56.600 55.803 0.009 0.000 0.927 202 Q CB 0.115 28.862 28.738 0.016 0.000 0.980 202 Q HN 0.341 nan 8.270 nan 0.000 0.525 203 D N -0.686 119.741 120.400 0.045 0.000 2.431 203 D HA -0.005 4.639 4.640 0.007 0.000 0.227 203 D C 0.140 176.490 176.300 0.084 0.000 1.030 203 D CA 0.262 54.303 54.000 0.068 0.000 0.897 203 D CB 0.304 41.144 40.800 0.066 0.000 1.058 203 D HN 0.053 nan 8.370 nan 0.000 0.500 204 K N 2.156 122.607 120.400 0.086 0.000 3.256 204 K HA 0.031 4.355 4.320 0.007 0.000 0.285 204 K C 0.752 177.380 176.600 0.047 0.000 1.086 204 K CA 0.103 56.451 56.287 0.101 0.000 1.125 204 K CB -0.316 32.307 32.500 0.203 0.000 1.292 204 K HN 0.190 nan 8.250 nan 0.000 0.312 205 K N 1.188 121.579 120.400 -0.015 0.000 2.589 205 K HA -0.117 4.207 4.320 0.007 0.000 0.195 205 K C 0.945 177.305 176.600 -0.400 0.000 1.040 205 K CA 0.825 57.018 56.287 -0.157 0.000 0.950 205 K CB -0.027 32.394 32.500 -0.131 0.000 0.781 205 K HN 0.363 nan 8.250 nan 0.000 0.486 206 N N -0.193 118.331 118.700 -0.293 0.000 2.235 206 N HA 0.037 4.781 4.740 0.007 0.000 0.231 206 N C -0.230 175.179 175.510 -0.169 0.000 1.177 206 N CA -0.047 52.840 53.050 -0.271 0.000 0.874 206 N CB 0.446 38.854 38.487 -0.132 0.000 1.097 206 N HN -0.097 nan 8.380 nan 0.000 0.518 207 M N 0.711 120.176 119.600 -0.224 0.000 2.662 207 M HA 0.485 4.970 4.480 0.007 0.000 0.310 207 M C -0.904 175.061 176.300 -0.558 0.000 1.204 207 M CA -0.631 54.422 55.300 -0.413 0.000 0.891 207 M CB 2.428 34.661 32.600 -0.610 0.000 1.732 207 M HN -0.085 nan 8.290 nan 0.000 0.467 208 L N 1.905 122.766 121.223 -0.603 0.000 2.356 208 L HA 0.540 4.884 4.340 0.007 0.000 0.277 208 L C -1.403 175.116 176.870 -0.586 0.000 0.996 208 L CA -0.440 54.137 54.840 -0.438 0.000 0.822 208 L CB 1.530 43.466 42.059 -0.205 0.000 1.256 208 L HN 0.483 nan 8.230 nan 0.000 0.413 209 F N 1.065 120.998 119.950 -0.029 0.000 2.420 209 F HA 0.251 4.781 4.527 0.005 0.000 0.342 209 F C 0.987 176.774 175.800 -0.022 0.000 1.113 209 F CA -0.480 57.501 58.000 -0.031 0.000 1.059 209 F CB 1.783 40.757 39.000 -0.043 0.000 1.128 209 F HN 0.328 nan 8.300 nan 0.000 0.475 210 S N 2.231 118.021 115.700 0.150 0.000 2.737 210 S HA 0.340 4.814 4.470 0.007 0.000 0.315 210 S C 1.021 175.679 174.600 0.098 0.000 1.236 210 S CA 1.114 59.369 58.200 0.091 0.000 1.093 210 S CB -0.498 62.745 63.200 0.071 0.000 0.832 210 S HN 1.168 nan 8.310 nan 0.000 0.507 211 G N 3.328 112.187 108.800 0.098 0.000 2.278 211 G HA2 -0.228 3.736 3.960 0.007 0.000 0.210 211 G HA3 -0.228 3.736 3.960 0.007 0.000 0.210 211 G C 0.288 175.264 174.900 0.126 0.000 1.000 211 G CA 0.167 45.341 45.100 0.123 0.000 0.635 211 G HN 1.276 nan 8.290 nan 0.000 0.495 212 T N 0.502 115.116 114.554 0.100 0.000 2.816 212 T HA 0.566 4.920 4.350 0.007 0.000 0.282 212 T C 0.069 174.819 174.700 0.083 0.000 0.993 212 T CA 0.191 62.345 62.100 0.090 0.000 0.994 212 T CB 1.525 70.456 68.868 0.105 0.000 1.025 212 T HN 0.938 nan 8.240 nan 0.000 0.529 213 N N -0.322 118.419 118.700 0.068 0.000 2.265 213 N HA 0.308 5.052 4.740 0.007 0.000 0.300 213 N C -1.144 174.387 175.510 0.035 0.000 1.148 213 N CA -0.982 52.099 53.050 0.051 0.000 0.772 213 N CB 1.548 40.067 38.487 0.053 0.000 1.434 213 N HN 0.377 nan 8.380 nan 0.000 0.481 214 I N 1.530 122.115 120.570 0.024 0.000 2.347 214 I HA 0.089 4.264 4.170 0.007 0.000 0.294 214 I C 1.572 177.699 176.117 0.016 0.000 1.090 214 I CA -0.143 61.167 61.300 0.017 0.000 1.314 214 I CB 0.176 38.184 38.000 0.013 0.000 1.423 214 I HN 0.811 nan 8.210 nan 0.000 0.503 215 A N 5.744 128.572 122.820 0.013 0.000 1.930 215 A HA 0.373 4.698 4.320 0.007 0.000 0.217 215 A C 1.067 178.656 177.584 0.010 0.000 1.175 215 A CA 1.298 53.341 52.037 0.009 0.000 0.627 215 A CB 0.111 19.113 19.000 0.003 0.000 0.815 215 A HN 0.793 nan 8.150 nan 0.000 0.443 216 A N -3.404 119.423 122.820 0.011 0.000 2.605 216 A HA 0.651 4.975 4.320 0.007 0.000 0.294 216 A C 0.292 177.891 177.584 0.024 0.000 1.062 216 A CA 0.162 52.210 52.037 0.018 0.000 0.682 216 A CB 0.057 19.068 19.000 0.018 0.000 1.278 216 A HN 2.177 nan 8.150 nan 0.000 0.410 217 G N 0.146 108.966 108.800 0.032 0.000 2.631 217 G HA2 0.354 4.318 3.960 0.007 0.000 0.504 217 G HA3 0.354 4.318 3.960 0.007 0.000 0.504 217 G C -0.559 174.359 174.900 0.031 0.000 1.306 217 G CA 0.032 45.154 45.100 0.037 0.000 0.897 217 G HN 1.552 nan 8.290 nan 0.000 0.520 218 K N -0.547 119.873 120.400 0.033 0.000 2.523 218 K HA 0.791 5.115 4.320 0.007 0.000 0.257 218 K C -0.385 176.233 176.600 0.030 0.000 0.932 218 K CA -0.103 56.203 56.287 0.031 0.000 0.812 218 K CB 1.727 34.249 32.500 0.036 0.000 1.326 218 K HN 2.166 nan 8.250 nan 0.000 0.433 219 A N 2.644 125.481 122.820 0.028 0.000 2.602 219 A HA 0.749 5.073 4.320 0.007 0.000 0.290 219 A C -2.208 175.394 177.584 0.031 0.000 1.114 219 A CA -0.746 51.305 52.037 0.024 0.000 0.683 219 A CB 1.596 20.602 19.000 0.010 0.000 1.281 219 A HN 0.531 nan 8.150 nan 0.000 0.416 220 L N 0.001 121.237 121.223 0.023 0.000 2.386 220 L HA 0.868 5.212 4.340 0.007 0.000 0.271 220 L C 0.276 177.151 176.870 0.008 0.000 0.993 220 L CA 0.597 55.455 54.840 0.030 0.000 0.819 220 L CB 2.057 44.124 42.059 0.014 0.000 1.294 220 L HN 1.317 nan 8.230 nan 0.000 0.414 221 G N 3.488 112.292 108.800 0.007 0.000 2.721 221 G HA2 0.545 4.509 3.960 0.007 0.000 0.296 221 G HA3 0.545 4.509 3.960 0.007 0.000 0.296 221 G C -2.009 172.880 174.900 -0.018 0.000 1.383 221 G CA -0.556 44.535 45.100 -0.015 0.000 0.788 221 G HN 0.708 nan 8.290 nan 0.000 0.500 222 I N 0.391 120.941 120.570 -0.033 0.000 2.465 222 I HA 0.555 4.730 4.170 0.007 0.000 0.291 222 I C -0.540 175.513 176.117 -0.107 0.000 1.014 222 I CA -1.008 60.258 61.300 -0.055 0.000 1.093 222 I CB 1.954 39.949 38.000 -0.008 0.000 1.267 222 I HN 0.244 nan 8.210 nan 0.000 0.431 223 V N 8.508 128.316 119.914 -0.177 0.000 2.446 223 V HA 0.119 4.243 4.120 0.007 0.000 0.276 223 V C 1.187 177.113 176.094 -0.279 0.000 1.030 223 V CA 0.724 62.900 62.300 -0.206 0.000 1.033 223 V CB 0.539 32.238 31.823 -0.206 0.000 0.993 223 V HN 0.979 nan 8.190 nan 0.000 0.477 224 A N 4.836 127.568 122.820 -0.148 0.000 1.903 224 A HA 0.237 4.561 4.320 0.007 0.000 0.213 224 A C 1.093 178.638 177.584 -0.065 0.000 1.185 224 A CA 1.307 53.310 52.037 -0.056 0.000 0.628 224 A CB 0.086 19.071 19.000 -0.026 0.000 0.830 224 A HN 0.901 nan 8.150 nan 0.000 0.446 225 T N -4.022 110.478 114.554 -0.090 0.000 2.840 225 T HA 0.557 4.911 4.350 0.007 0.000 0.317 225 T C -0.457 174.204 174.700 -0.065 0.000 1.401 225 T CA 0.112 62.162 62.100 -0.083 0.000 1.028 225 T CB 1.410 70.266 68.868 -0.020 0.000 1.317 225 T HN 0.784 nan 8.240 nan 0.000 0.495 226 T N -1.830 112.694 114.554 -0.050 0.000 2.645 226 T HA 0.816 5.170 4.350 0.007 0.000 0.273 226 T C 1.326 176.040 174.700 0.023 0.000 0.960 226 T CA 0.197 62.289 62.100 -0.014 0.000 1.051 226 T CB 0.873 69.730 68.868 -0.019 0.000 1.366 226 T HN 2.119 nan 8.240 nan 0.000 0.536 227 G N 0.296 109.119 108.800 0.039 0.000 2.698 227 G HA2 -0.326 3.638 3.960 0.007 0.000 0.346 227 G HA3 -0.326 3.638 3.960 0.007 0.000 0.346 227 G C 1.140 176.066 174.900 0.043 0.000 1.287 227 G CA 1.235 46.366 45.100 0.052 0.000 0.990 227 G HN 1.391 nan 8.290 nan 0.000 0.545 228 V N 0.985 120.927 119.914 0.046 0.000 2.809 228 V HA 0.018 4.143 4.120 0.007 0.000 0.256 228 V C 2.490 178.603 176.094 0.031 0.000 1.080 228 V CA 2.370 64.691 62.300 0.034 0.000 1.102 228 V CB 0.277 32.120 31.823 0.035 0.000 0.705 228 V HN 0.570 nan 8.190 nan 0.000 0.475 229 S N 0.412 116.135 115.700 0.039 0.000 2.803 229 S HA 0.073 4.548 4.470 0.007 0.000 0.228 229 S C 0.721 175.341 174.600 0.034 0.000 0.953 229 S CA 0.233 58.455 58.200 0.036 0.000 0.983 229 S CB -0.466 62.762 63.200 0.047 0.000 0.784 229 S HN 0.811 nan 8.310 nan 0.000 0.498 230 T N -1.492 113.082 114.554 0.032 0.000 2.932 230 T HA 0.433 4.787 4.350 0.007 0.000 0.289 230 T C 0.848 175.565 174.700 0.027 0.000 1.039 230 T CA -0.919 61.211 62.100 0.049 0.000 1.024 230 T CB 1.313 70.215 68.868 0.058 0.000 1.090 230 T HN -0.160 nan 8.240 nan 0.000 0.496 231 E N 0.521 120.744 120.200 0.038 0.000 2.065 231 E HA -0.171 4.183 4.350 0.007 0.000 0.201 231 E C 1.743 178.301 176.600 -0.070 0.000 1.016 231 E CA 1.340 57.704 56.400 -0.060 0.000 0.818 231 E CB -0.269 29.323 29.700 -0.180 0.000 0.749 231 E HN 0.732 nan 8.360 nan 0.000 0.453 232 I N 0.505 121.052 120.570 -0.039 0.000 2.493 232 I HA -0.110 4.064 4.170 0.007 0.000 0.254 232 I C 2.036 178.136 176.117 -0.029 0.000 1.160 232 I CA 1.178 62.447 61.300 -0.051 0.000 1.445 232 I CB -0.155 37.826 38.000 -0.032 0.000 1.086 232 I HN 0.045 nan 8.210 nan 0.000 0.433 233 G N 0.468 109.263 108.800 -0.008 0.000 2.484 233 G HA2 -0.171 3.794 3.960 0.007 0.000 0.218 233 G HA3 -0.171 3.794 3.960 0.007 0.000 0.218 233 G C 1.698 176.590 174.900 -0.014 0.000 1.130 233 G CA 0.231 45.331 45.100 -0.000 0.000 0.784 233 G HN 0.309 nan 8.290 nan 0.000 0.543 234 K N -0.078 120.304 120.400 -0.030 0.000 2.076 234 K HA 0.164 4.488 4.320 0.007 0.000 0.204 234 K C 2.389 178.957 176.600 -0.053 0.000 1.051 234 K CA 0.335 56.596 56.287 -0.042 0.000 0.949 234 K CB -0.146 32.319 32.500 -0.059 0.000 0.726 234 K HN 0.296 nan 8.250 nan 0.000 0.443 235 I N 1.267 121.798 120.570 -0.066 0.000 2.163 235 I HA -0.313 3.861 4.170 0.007 0.000 0.243 235 I C 2.762 178.849 176.117 -0.050 0.000 1.085 235 I CA 1.099 62.357 61.300 -0.071 0.000 1.347 235 I CB -0.309 37.639 38.000 -0.087 0.000 1.044 235 I HN 0.181 nan 8.210 nan 0.000 0.408 236 R N 1.232 121.710 120.500 -0.037 0.000 2.083 236 R HA -0.217 4.128 4.340 0.007 0.000 0.237 236 R C 1.692 177.978 176.300 -0.023 0.000 1.137 236 R CA 2.125 58.211 56.100 -0.023 0.000 0.951 236 R CB -0.650 29.645 30.300 -0.009 0.000 0.851 236 R HN 0.348 nan 8.270 nan 0.000 0.434 237 D N 0.413 120.799 120.400 -0.023 0.000 2.144 237 D HA -0.130 4.514 4.640 0.007 0.000 0.200 237 D C 1.971 178.253 176.300 -0.030 0.000 0.978 237 D CA 0.907 54.894 54.000 -0.022 0.000 0.833 237 D CB -0.082 40.707 40.800 -0.018 0.000 0.961 237 D HN 0.384 nan 8.370 nan 0.000 0.470 238 Q N -0.532 119.245 119.800 -0.039 0.000 2.172 238 Q HA -0.000 4.344 4.340 0.007 0.000 0.200 238 Q C 2.195 178.169 176.000 -0.043 0.000 0.964 238 Q CA 0.609 56.384 55.803 -0.046 0.000 0.855 238 Q CB 0.094 28.797 28.738 -0.057 0.000 0.918 238 Q HN 0.348 nan 8.270 nan 0.000 0.444 239 M N -0.336 119.241 119.600 -0.039 0.000 2.098 239 M HA -0.127 4.357 4.480 0.007 0.000 0.262 239 M C 2.406 178.688 176.300 -0.031 0.000 1.072 239 M CA 1.379 56.657 55.300 -0.036 0.000 1.133 239 M CB -0.398 32.183 32.600 -0.032 0.000 1.344 239 M HN 0.181 nan 8.290 nan 0.000 0.414 240 A N 0.874 123.679 122.820 -0.026 0.000 1.881 240 A HA -0.243 4.082 4.320 0.007 0.000 0.219 240 A C 2.337 179.906 177.584 -0.025 0.000 1.215 240 A CA 2.635 54.658 52.037 -0.023 0.000 0.648 240 A CB -1.365 17.624 19.000 -0.019 0.000 0.832 240 A HN 0.528 nan 8.150 nan 0.000 0.455 241 A N -0.416 122.388 122.820 -0.026 0.000 1.836 241 A HA 0.007 4.332 4.320 0.007 0.000 0.215 241 A C 1.808 179.374 177.584 -0.030 0.000 1.214 241 A CA 2.405 54.425 52.037 -0.028 0.000 0.636 241 A CB -2.069 16.913 19.000 -0.031 0.000 0.847 241 A HN 1.453 nan 8.150 nan 0.000 0.451 242 T N 0.700 115.233 114.554 -0.036 0.000 2.723 242 T HA 0.205 4.559 4.350 0.007 0.000 0.260 242 T C -0.083 174.597 174.700 -0.033 0.000 1.019 242 T CA 0.731 62.809 62.100 -0.038 0.000 1.155 242 T CB -0.186 68.656 68.868 -0.043 0.000 1.024 242 T HN 0.760 nan 8.240 nan 0.000 0.491 243 E N 2.586 122.767 120.200 -0.032 0.000 2.312 243 E HA 0.299 4.654 4.350 0.007 0.000 0.267 243 E C -0.945 175.637 176.600 -0.030 0.000 0.894 243 E CA -1.151 55.232 56.400 -0.029 0.000 0.773 243 E CB 1.349 31.035 29.700 -0.024 0.000 1.241 243 E HN 0.635 nan 8.360 nan 0.000 0.432 244 Q N 1.678 121.461 119.800 -0.030 0.000 2.314 244 Q HA 0.312 4.656 4.340 0.007 0.000 0.258 244 Q C -0.708 175.276 176.000 -0.026 0.000 0.954 244 Q CA -0.112 55.673 55.803 -0.030 0.000 0.890 244 Q CB 0.579 29.298 28.738 -0.031 0.000 1.210 244 Q HN 0.462 nan 8.270 nan 0.000 0.410 245 D N 0.928 121.312 120.400 -0.026 0.000 2.383 245 D HA 0.177 4.821 4.640 0.007 0.000 0.248 245 D C -0.239 176.049 176.300 -0.020 0.000 1.170 245 D CA -0.323 53.663 54.000 -0.022 0.000 0.977 245 D CB 0.785 41.571 40.800 -0.023 0.000 1.120 245 D HN 0.111 nan 8.370 nan 0.000 0.481 246 K N 0.207 120.598 120.400 -0.014 0.000 2.298 246 K HA 0.220 4.544 4.320 0.007 0.000 0.280 246 K C -0.032 176.561 176.600 -0.012 0.000 1.032 246 K CA -0.246 56.035 56.287 -0.009 0.000 0.958 246 K CB 0.671 33.171 32.500 -0.001 0.000 0.978 246 K HN 0.304 nan 8.250 nan 0.000 0.472 247 T N 4.302 118.849 114.554 -0.012 0.000 2.939 247 T HA -0.045 4.309 4.350 0.007 0.000 0.319 247 T C -1.565 173.124 174.700 -0.018 0.000 1.082 247 T CA -0.944 61.143 62.100 -0.022 0.000 1.133 247 T CB 0.352 69.211 68.868 -0.014 0.000 1.019 247 T HN 0.404 nan 8.240 nan 0.000 0.548 248 P HA -0.105 nan 4.420 nan 0.000 0.217 248 P C 1.506 178.812 177.300 0.009 0.000 1.151 248 P CA 0.558 63.639 63.100 -0.032 0.000 0.849 248 P CB 0.109 31.755 31.700 -0.090 0.000 0.787 249 L N -0.553 120.682 121.223 0.021 0.000 2.007 249 L HA -0.148 4.197 4.340 0.007 0.000 0.205 249 L C 2.446 179.347 176.870 0.053 0.000 1.073 249 L CA 1.869 56.751 54.840 0.070 0.000 0.744 249 L CB -1.596 40.525 42.059 0.104 0.000 0.898 249 L HN -0.078 nan 8.230 nan 0.000 0.435 250 Q N -1.016 118.808 119.800 0.041 0.000 2.156 250 Q HA -0.332 4.012 4.340 0.007 0.000 0.211 250 Q C 2.169 178.195 176.000 0.044 0.000 0.995 250 Q CA 2.283 58.111 55.803 0.041 0.000 0.877 250 Q CB -0.274 28.478 28.738 0.023 0.000 0.920 250 Q HN 0.626 nan 8.270 nan 0.000 0.416 251 Q N 0.224 120.044 119.800 0.033 0.000 2.002 251 Q HA -0.193 4.152 4.340 0.007 0.000 0.204 251 Q C 2.094 178.126 176.000 0.053 0.000 0.988 251 Q CA 1.124 56.947 55.803 0.034 0.000 0.843 251 Q CB -0.079 28.672 28.738 0.021 0.000 0.908 251 Q HN 0.214 nan 8.270 nan 0.000 0.420 252 K N 0.711 121.143 120.400 0.053 0.000 2.059 252 K HA -0.188 4.137 4.320 0.007 0.000 0.212 252 K C 2.105 178.770 176.600 0.108 0.000 1.050 252 K CA 1.213 57.536 56.287 0.060 0.000 0.927 252 K CB -0.679 31.841 32.500 0.034 0.000 0.714 252 K HN 0.159 nan 8.250 nan 0.000 0.447 253 L N 1.831 123.122 121.223 0.113 0.000 2.187 253 L HA -0.187 4.157 4.340 0.007 0.000 0.213 253 L C 1.966 178.959 176.870 0.204 0.000 1.100 253 L CA 1.509 56.470 54.840 0.202 0.000 0.765 253 L CB -0.458 41.691 42.059 0.149 0.000 0.904 253 L HN 0.178 nan 8.230 nan 0.000 0.437 254 D N -0.294 120.178 120.400 0.119 0.000 2.085 254 D HA -0.179 4.465 4.640 0.007 0.000 0.199 254 D C 1.981 178.326 176.300 0.075 0.000 0.981 254 D CA 1.522 55.567 54.000 0.074 0.000 0.834 254 D CB -0.162 40.665 40.800 0.044 0.000 0.992 254 D HN 0.572 nan 8.370 nan 0.000 0.457 255 E N 0.705 120.957 120.200 0.087 0.000 2.130 255 E HA -0.237 4.117 4.350 0.007 0.000 0.196 255 E C 2.180 178.853 176.600 0.121 0.000 0.998 255 E CA 0.933 57.380 56.400 0.079 0.000 0.806 255 E CB -0.703 29.042 29.700 0.075 0.000 0.738 255 E HN 0.236 nan 8.360 nan 0.000 0.459 256 F N 2.503 122.454 119.950 0.002 0.000 2.075 256 F HA 0.031 4.562 4.527 0.007 0.000 0.297 256 F C 2.335 178.134 175.800 -0.001 0.000 1.113 256 F CA 1.983 59.986 58.000 0.004 0.000 1.218 256 F CB -0.873 38.132 39.000 0.009 0.000 0.984 256 F HN 0.063 nan 8.300 nan 0.000 0.472 257 G N -0.244 108.455 108.800 -0.169 0.000 2.498 257 G HA2 -0.183 3.781 3.960 0.007 0.000 0.219 257 G HA3 -0.183 3.781 3.960 0.007 0.000 0.219 257 G C 1.438 176.218 174.900 -0.199 0.000 1.119 257 G CA 0.857 45.786 45.100 -0.286 0.000 0.766 257 G HN 0.387 nan 8.290 nan 0.000 0.552 258 E N 0.461 120.592 120.200 -0.114 0.000 2.045 258 E HA -0.028 4.327 4.350 0.007 0.000 0.190 258 E C 2.691 179.236 176.600 -0.091 0.000 0.968 258 E CA 0.473 56.826 56.400 -0.078 0.000 0.813 258 E CB -0.551 29.130 29.700 -0.032 0.000 0.780 258 E HN 0.291 nan 8.360 nan 0.000 0.455 259 Q N 0.930 120.690 119.800 -0.068 0.000 2.045 259 Q HA -0.149 4.195 4.340 0.007 0.000 0.206 259 Q C 2.356 178.293 176.000 -0.104 0.000 0.991 259 Q CA 0.823 56.598 55.803 -0.047 0.000 0.851 259 Q CB -0.873 27.881 28.738 0.026 0.000 0.911 259 Q HN 0.169 nan 8.270 nan 0.000 0.418 260 L N 0.992 122.083 121.223 -0.220 0.000 2.270 260 L HA -0.198 4.147 4.340 0.007 0.000 0.217 260 L C 2.315 179.069 176.870 -0.193 0.000 1.107 260 L CA 2.029 56.700 54.840 -0.282 0.000 0.772 260 L CB -0.749 40.949 42.059 -0.602 0.000 0.902 260 L HN 0.196 nan 8.230 nan 0.000 0.439 261 S N -1.454 114.148 115.700 -0.163 0.000 2.388 261 S HA -0.126 4.349 4.470 0.007 0.000 0.223 261 S C 2.069 176.612 174.600 -0.094 0.000 1.034 261 S CA 0.907 59.034 58.200 -0.122 0.000 0.963 261 S CB -0.171 62.966 63.200 -0.106 0.000 0.827 261 S HN 0.428 nan 8.310 nan 0.000 0.481 262 K N 1.529 121.882 120.400 -0.079 0.000 2.097 262 K HA 0.035 4.360 4.320 0.007 0.000 0.206 262 K C 1.756 178.318 176.600 -0.063 0.000 1.049 262 K CA 1.629 57.880 56.287 -0.060 0.000 0.933 262 K CB -1.013 31.462 32.500 -0.042 0.000 0.717 262 K HN 0.273 nan 8.250 nan 0.000 0.442 263 V N 1.224 121.096 119.914 -0.070 0.000 2.214 263 V HA -0.285 3.840 4.120 0.007 0.000 0.244 263 V C 2.315 178.352 176.094 -0.095 0.000 1.045 263 V CA 2.282 64.536 62.300 -0.077 0.000 0.993 263 V CB -0.452 31.326 31.823 -0.074 0.000 0.633 263 V HN 0.308 nan 8.190 nan 0.000 0.449 264 I N 1.311 121.820 120.570 -0.102 0.000 2.143 264 I HA -0.335 3.840 4.170 0.007 0.000 0.245 264 I C 2.636 178.697 176.117 -0.094 0.000 1.068 264 I CA 2.190 63.428 61.300 -0.103 0.000 1.326 264 I CB -0.784 37.153 38.000 -0.104 0.000 1.028 264 I HN 0.550 nan 8.210 nan 0.000 0.412 265 S N 0.568 116.215 115.700 -0.088 0.000 2.462 265 S HA -0.127 4.347 4.470 0.007 0.000 0.243 265 S C 1.788 176.349 174.600 -0.065 0.000 1.003 265 S CA 0.941 59.093 58.200 -0.080 0.000 0.970 265 S CB -0.309 62.846 63.200 -0.075 0.000 0.762 265 S HN 0.363 nan 8.310 nan 0.000 0.510 266 L N 0.310 121.494 121.223 -0.064 0.000 2.388 266 L HA 0.386 4.730 4.340 0.007 0.000 0.209 266 L C 2.341 179.180 176.870 -0.051 0.000 1.061 266 L CA 0.594 55.405 54.840 -0.049 0.000 0.834 266 L CB -0.879 41.150 42.059 -0.051 0.000 1.029 266 L HN 0.334 nan 8.230 nan 0.000 0.473 267 I N -0.271 120.242 120.570 -0.094 0.000 2.264 267 I HA -0.355 3.819 4.170 0.007 0.000 0.248 267 I C 2.604 178.717 176.117 -0.007 0.000 1.111 267 I CA 1.057 62.286 61.300 -0.119 0.000 1.382 267 I CB -0.180 37.717 38.000 -0.172 0.000 1.060 267 I HN 0.322 nan 8.210 nan 0.000 0.418 268 C N -0.064 119.220 119.300 -0.026 0.000 2.476 268 C HA -0.075 4.390 4.460 0.007 0.000 0.278 268 C C 2.759 177.794 174.990 0.074 0.000 1.274 268 C CA 0.278 59.288 59.018 -0.014 0.000 1.713 268 C CB -0.652 27.053 27.740 -0.060 0.000 2.039 268 C HN 0.337 nan 8.230 nan 0.000 0.484 269 V N 1.434 121.385 119.914 0.062 0.000 2.913 269 V HA -0.101 4.023 4.120 0.007 0.000 0.260 269 V C 2.443 178.661 176.094 0.206 0.000 1.098 269 V CA 1.803 64.179 62.300 0.125 0.000 1.121 269 V CB -1.204 30.645 31.823 0.045 0.000 0.714 269 V HN 0.604 nan 8.190 nan 0.000 0.487 270 A N -0.311 122.599 122.820 0.150 0.000 1.975 270 A HA 0.009 4.333 4.320 0.007 0.000 0.215 270 A C 2.213 179.929 177.584 0.221 0.000 1.170 270 A CA 1.179 53.320 52.037 0.173 0.000 0.656 270 A CB -0.184 18.892 19.000 0.127 0.000 0.821 270 A HN 0.346 nan 8.150 nan 0.000 0.449 271 V N -2.526 117.512 119.914 0.208 0.000 2.951 271 V HA -0.141 3.983 4.120 0.007 0.000 0.255 271 V C 1.956 178.179 176.094 0.216 0.000 1.088 271 V CA 1.121 63.506 62.300 0.142 0.000 1.109 271 V CB -0.703 31.107 31.823 -0.022 0.000 0.724 271 V HN 0.856 nan 8.190 nan 0.000 0.471 272 W N 0.262 121.648 121.300 0.145 0.000 2.699 272 W HA 0.047 4.711 4.660 0.007 0.000 0.249 272 W C 1.659 178.248 176.519 0.116 0.000 1.280 272 W CA 0.957 58.446 57.345 0.240 0.000 1.345 272 W CB 0.083 29.659 29.460 0.192 0.000 1.128 272 W HN 0.190 nan 8.180 nan 0.000 0.642 273 L N -0.519 120.759 121.223 0.092 0.000 2.253 273 L HA -0.080 4.264 4.340 0.007 0.000 0.205 273 L C 2.152 178.981 176.870 -0.068 0.000 1.078 273 L CA 0.132 54.941 54.840 -0.051 0.000 0.805 273 L CB -0.621 41.491 42.059 0.088 0.000 0.963 273 L HN -0.127 nan 8.230 nan 0.000 0.459 274 I N 0.179 120.754 120.570 0.009 0.000 2.235 274 I HA -0.176 3.999 4.170 0.007 0.000 0.241 274 I C 1.172 177.277 176.117 -0.019 0.000 1.085 274 I CA 1.337 62.637 61.300 0.001 0.000 1.378 274 I CB -1.049 36.962 38.000 0.017 0.000 1.076 274 I HN 0.300 nan 8.210 nan 0.000 0.415 275 N N 1.872 120.585 118.700 0.022 0.000 2.906 275 N HA 0.101 4.845 4.740 0.007 0.000 0.282 275 N C 0.592 176.088 175.510 -0.022 0.000 1.293 275 N CA -0.139 52.942 53.050 0.052 0.000 1.059 275 N CB -0.012 38.615 38.487 0.232 0.000 1.388 275 N HN 0.326 nan 8.380 nan 0.000 0.533 276 I N 0.446 120.944 120.570 -0.120 0.000 3.702 276 I HA 0.018 4.192 4.170 0.007 0.000 0.305 276 I C 1.687 177.766 176.117 -0.064 0.000 1.346 276 I CA 0.015 61.218 61.300 -0.163 0.000 1.258 276 I CB -0.274 37.609 38.000 -0.194 0.000 1.121 276 I HN 0.263 nan 8.210 nan 0.000 0.437 277 G N -0.459 108.272 108.800 -0.115 0.000 3.042 277 G HA2 -0.033 3.931 3.960 0.007 0.000 0.212 277 G HA3 -0.033 3.931 3.960 0.007 0.000 0.212 277 G C 0.962 175.715 174.900 -0.245 0.000 1.166 277 G CA 0.050 45.039 45.100 -0.185 0.000 0.767 277 G HN 0.456 nan 8.290 nan 0.000 0.546 278 H N -1.576 117.529 119.070 0.058 0.000 2.916 278 H HA 0.271 4.831 4.556 0.007 0.000 0.262 278 H C -0.057 175.361 175.328 0.151 0.000 1.178 278 H CA -0.665 55.426 56.048 0.072 0.000 1.090 278 H CB 0.607 30.365 29.762 -0.007 0.000 1.657 278 H HN 0.362 nan 8.280 nan 0.000 0.601 279 F N 0.274 120.237 119.950 0.022 0.000 2.871 279 F HA 0.287 4.818 4.527 0.007 0.000 0.344 279 F C 0.564 176.366 175.800 0.004 0.000 1.078 279 F CA 0.093 58.098 58.000 0.009 0.000 1.149 279 F CB 1.093 40.033 39.000 -0.100 0.000 1.087 279 F HN -0.030 nan 8.300 nan 0.000 0.557 280 N N -0.118 118.587 118.700 0.008 0.000 2.278 280 N HA 0.017 4.762 4.740 0.007 0.000 0.239 280 N C -0.461 175.031 175.510 -0.031 0.000 1.411 280 N CA 0.438 53.456 53.050 -0.053 0.000 0.908 280 N CB 0.391 38.867 38.487 -0.019 0.000 1.307 280 N HN 0.147 nan 8.380 nan 0.000 0.522 281 D N -0.662 119.726 120.400 -0.019 0.000 3.050 281 D HA 0.199 4.844 4.640 0.007 0.000 0.281 281 D C -1.061 175.227 176.300 -0.021 0.000 1.246 281 D CA 0.462 54.448 54.000 -0.023 0.000 1.073 281 D CB -0.404 40.380 40.800 -0.028 0.000 1.382 281 D HN 0.330 nan 8.370 nan 0.000 0.433 282 P HA 0.257 nan 4.420 nan 0.000 0.337 282 P C 0.456 177.738 177.300 -0.030 0.000 1.340 282 P CA -0.159 62.945 63.100 0.007 0.000 0.764 282 P CB 0.934 32.672 31.700 0.063 0.000 1.718 283 V N -1.837 118.059 119.914 -0.029 0.000 4.114 283 V HA 0.146 4.270 4.120 0.007 0.000 0.293 283 V C 2.262 178.287 176.094 -0.114 0.000 1.371 283 V CA -0.480 61.743 62.300 -0.128 0.000 0.929 283 V CB -0.112 31.659 31.823 -0.087 0.000 1.281 283 V HN 0.525 nan 8.190 nan 0.000 0.468 284 H N 1.164 120.226 119.070 -0.012 0.000 2.290 284 H HA -0.056 4.504 4.556 0.007 0.000 0.298 284 H C 1.555 176.864 175.328 -0.031 0.000 1.087 284 H CA 1.221 57.241 56.048 -0.047 0.000 1.291 284 H CB -0.709 29.018 29.762 -0.057 0.000 1.369 284 H HN 0.760 nan 8.280 nan 0.000 0.492 285 G N 1.208 110.086 108.800 0.130 0.000 2.937 285 G HA2 -0.100 3.864 3.960 0.007 0.000 0.313 285 G HA3 -0.100 3.864 3.960 0.007 0.000 0.313 285 G C 0.743 175.709 174.900 0.110 0.000 0.257 285 G CA 0.635 45.794 45.100 0.099 0.000 1.209 285 G HN 0.560 nan 8.290 nan 0.000 0.211 286 G N 1.432 110.282 108.800 0.082 0.000 2.192 286 G HA2 0.373 4.338 3.960 0.007 0.000 0.258 286 G HA3 0.373 4.338 3.960 0.007 0.000 0.258 286 G C 0.768 175.755 174.900 0.145 0.000 1.185 286 G CA 0.401 45.566 45.100 0.108 0.000 0.976 286 G HN 0.951 nan 8.290 nan 0.000 0.446 287 S N 1.505 117.340 115.700 0.225 0.000 2.822 287 S HA 0.079 4.554 4.470 0.007 0.000 0.251 287 S C 0.341 174.988 174.600 0.078 0.000 0.946 287 S CA -0.520 57.736 58.200 0.094 0.000 1.377 287 S CB 0.015 63.221 63.200 0.010 0.000 1.230 287 S HN 0.690 nan 8.310 nan 0.000 0.671 288 W N 1.007 122.261 121.300 -0.076 0.000 3.388 288 W HA 0.542 5.207 4.660 0.007 0.000 0.324 288 W C 1.028 177.504 176.519 -0.072 0.000 1.250 288 W CA -0.192 57.109 57.345 -0.072 0.000 1.809 288 W CB 0.064 29.506 29.460 -0.030 0.000 1.083 288 W HN 0.349 nan 8.180 nan 0.000 0.685 289 I N -2.172 118.466 120.570 0.115 0.000 5.251 289 I HA 0.099 4.274 4.170 0.007 0.000 0.340 289 I C 2.053 178.187 176.117 0.029 0.000 1.201 289 I CA 0.638 61.969 61.300 0.053 0.000 1.500 289 I CB -0.121 37.952 38.000 0.123 0.000 1.636 289 I HN -0.254 nan 8.210 nan 0.000 0.561 290 R N 0.672 121.202 120.500 0.051 0.000 2.056 290 R HA 0.245 4.590 4.340 0.007 0.000 0.215 290 R C 1.681 178.000 176.300 0.032 0.000 1.205 290 R CA 1.224 57.357 56.100 0.056 0.000 1.020 290 R CB -0.690 29.652 30.300 0.069 0.000 0.911 290 R HN 0.301 nan 8.270 nan 0.000 0.451 291 G N 0.027 108.818 108.800 -0.015 0.000 2.882 291 G HA2 0.017 3.981 3.960 0.007 0.000 0.206 291 G HA3 0.017 3.981 3.960 0.007 0.000 0.206 291 G C 1.019 175.872 174.900 -0.080 0.000 1.155 291 G CA 0.536 45.595 45.100 -0.068 0.000 0.800 291 G HN 0.444 nan 8.290 nan 0.000 0.524 292 A N 0.184 122.964 122.820 -0.067 0.000 2.147 292 A HA 0.350 4.674 4.320 0.007 0.000 0.211 292 A C 1.854 179.450 177.584 0.021 0.000 1.160 292 A CA 0.078 52.058 52.037 -0.094 0.000 0.781 292 A CB 0.015 18.910 19.000 -0.175 0.000 0.842 292 A HN 0.366 nan 8.150 nan 0.000 0.475 293 I N -1.381 119.230 120.570 0.069 0.000 3.735 293 I HA -0.009 4.165 4.170 0.007 0.000 0.310 293 I C 1.446 177.728 176.117 0.274 0.000 1.270 293 I CA 0.474 61.847 61.300 0.121 0.000 1.207 293 I CB -0.083 37.963 38.000 0.077 0.000 1.013 293 I HN 0.409 nan 8.210 nan 0.000 0.452 294 Y N -0.282 120.138 120.300 0.201 0.000 2.466 294 Y HA 0.040 4.594 4.550 0.007 0.000 0.272 294 Y C 0.833 176.890 175.900 0.262 0.000 1.169 294 Y CA 0.431 58.664 58.100 0.222 0.000 1.285 294 Y CB 0.177 38.790 38.460 0.256 0.000 1.078 294 Y HN 0.128 nan 8.280 nan 0.000 0.523 295 Y N -1.904 118.504 120.300 0.181 0.000 2.682 295 Y HA 0.228 4.782 4.550 0.007 0.000 0.251 295 Y C 0.173 176.247 175.900 0.290 0.000 1.172 295 Y CA -0.406 57.799 58.100 0.176 0.000 1.186 295 Y CB 0.087 38.684 38.460 0.229 0.000 1.216 295 Y HN 0.082 nan 8.280 nan 0.000 0.540 296 F N -1.605 118.376 119.950 0.051 0.000 2.533 296 F HA 0.192 4.723 4.527 0.007 0.000 0.313 296 F C 1.976 177.768 175.800 -0.012 0.000 0.834 296 F CA -0.147 57.860 58.000 0.012 0.000 1.061 296 F CB 0.022 39.029 39.000 0.012 0.000 0.915 296 F HN -0.275 nan 8.300 nan 0.000 0.693 297 K N 1.189 121.701 120.400 0.187 0.000 2.280 297 K HA -0.124 4.201 4.320 0.007 0.000 0.202 297 K C 1.514 178.118 176.600 0.006 0.000 1.047 297 K CA 2.033 58.378 56.287 0.097 0.000 0.942 297 K CB -0.117 32.453 32.500 0.117 0.000 0.739 297 K HN 0.418 nan 8.250 nan 0.000 0.457 298 I N -3.179 117.348 120.570 -0.071 0.000 3.783 298 I HA 0.251 4.425 4.170 0.007 0.000 0.310 298 I C 1.710 177.751 176.117 -0.126 0.000 1.274 298 I CA 0.245 61.462 61.300 -0.140 0.000 1.294 298 I CB 0.087 37.911 38.000 -0.293 0.000 1.051 298 I HN -0.097 nan 8.210 nan 0.000 0.435 299 A N 1.936 124.681 122.820 -0.124 0.000 1.855 299 A HA -0.052 4.273 4.320 0.007 0.000 0.215 299 A C 2.168 179.683 177.584 -0.115 0.000 1.191 299 A CA 2.181 54.119 52.037 -0.165 0.000 0.613 299 A CB -1.197 17.628 19.000 -0.291 0.000 0.829 299 A HN 0.565 nan 8.150 nan 0.000 0.442 300 V N -3.610 116.260 119.914 -0.072 0.000 3.630 300 V HA 0.477 4.601 4.120 0.007 0.000 0.273 300 V C 1.563 177.644 176.094 -0.021 0.000 1.248 300 V CA 1.221 63.499 62.300 -0.036 0.000 1.170 300 V CB -0.619 31.207 31.823 0.004 0.000 0.899 300 V HN 0.517 nan 8.190 nan 0.000 0.457 301 A N -0.211 122.588 122.820 -0.034 0.000 2.070 301 A HA 0.380 4.705 4.320 0.007 0.000 0.202 301 A C 1.844 179.408 177.584 -0.032 0.000 1.277 301 A CA 0.592 52.616 52.037 -0.022 0.000 0.872 301 A CB -0.135 18.851 19.000 -0.023 0.000 0.933 301 A HN 0.372 nan 8.150 nan 0.000 0.475 302 L N 0.072 121.263 121.223 -0.054 0.000 2.156 302 L HA -0.026 4.318 4.340 0.007 0.000 0.208 302 L C 2.511 179.349 176.870 -0.054 0.000 1.095 302 L CA 2.015 56.822 54.840 -0.055 0.000 0.770 302 L CB -1.065 40.949 42.059 -0.075 0.000 0.914 302 L HN 0.401 nan 8.230 nan 0.000 0.439 303 A N 0.031 122.817 122.820 -0.057 0.000 1.841 303 A HA -0.172 4.152 4.320 0.007 0.000 0.214 303 A C 2.096 179.658 177.584 -0.037 0.000 1.195 303 A CA 2.152 54.156 52.037 -0.055 0.000 0.611 303 A CB -1.093 17.875 19.000 -0.054 0.000 0.835 303 A HN 0.377 nan 8.150 nan 0.000 0.443 304 V N -2.970 116.932 119.914 -0.019 0.000 3.330 304 V HA 0.161 4.285 4.120 0.007 0.000 0.273 304 V C 1.923 178.015 176.094 -0.003 0.000 1.179 304 V CA 1.651 63.949 62.300 -0.003 0.000 1.174 304 V CB -1.159 30.674 31.823 0.017 0.000 0.794 304 V HN 0.548 nan 8.190 nan 0.000 0.527 305 A N -0.604 122.207 122.820 -0.014 0.000 2.197 305 A HA 0.737 5.061 4.320 0.007 0.000 0.210 305 A C 2.161 179.735 177.584 -0.017 0.000 1.180 305 A CA 0.920 52.949 52.037 -0.013 0.000 0.846 305 A CB -0.029 18.962 19.000 -0.015 0.000 0.884 305 A HN 0.799 nan 8.150 nan 0.000 0.487 306 A N -0.718 122.086 122.820 -0.026 0.000 1.993 306 A HA 0.402 4.727 4.320 0.007 0.000 0.207 306 A C 0.541 178.114 177.584 -0.018 0.000 1.224 306 A CA 0.273 52.293 52.037 -0.028 0.000 0.749 306 A CB 0.153 19.110 19.000 -0.071 0.000 0.884 306 A HN 0.229 nan 8.150 nan 0.000 0.467 307 I N 2.526 123.077 120.570 -0.033 0.000 2.294 307 I HA 0.179 4.353 4.170 0.007 0.000 0.295 307 I C -2.138 173.985 176.117 0.011 0.000 1.098 307 I CA -2.259 59.029 61.300 -0.020 0.000 1.277 307 I CB 0.597 38.574 38.000 -0.038 0.000 1.434 307 I HN 0.120 nan 8.210 nan 0.000 0.498 308 P HA -0.005 nan 4.420 nan 0.000 0.249 308 P C 0.239 177.542 177.300 0.006 0.000 1.686 308 P CA -0.240 62.870 63.100 0.017 0.000 0.873 308 P CB -0.195 31.522 31.700 0.027 0.000 1.828 309 E N 1.342 121.543 120.200 0.003 0.000 2.481 309 E HA 0.177 4.532 4.350 0.007 0.000 0.240 309 E C 1.330 177.916 176.600 -0.024 0.000 1.193 309 E CA 1.114 57.511 56.400 -0.005 0.000 0.955 309 E CB -1.019 28.680 29.700 -0.001 0.000 1.006 309 E HN 0.494 nan 8.360 nan 0.000 0.483 310 G N 3.192 111.971 108.800 -0.035 0.000 3.827 310 G HA2 -0.203 3.762 3.960 0.007 0.000 0.218 310 G HA3 -0.203 3.762 3.960 0.007 0.000 0.218 310 G C 0.635 175.488 174.900 -0.078 0.000 0.892 310 G CA 0.053 45.114 45.100 -0.066 0.000 0.857 310 G HN 0.459 nan 8.290 nan 0.000 0.508 311 L N 2.502 123.698 121.223 -0.045 0.000 1.989 311 L HA 0.121 4.465 4.340 0.007 0.000 0.211 311 L C 0.514 177.362 176.870 -0.037 0.000 1.071 311 L CA 3.344 58.166 54.840 -0.031 0.000 0.749 311 L CB -1.127 40.955 42.059 0.039 0.000 0.890 311 L HN 0.176 nan 8.230 nan 0.000 0.431 312 P HA -0.274 nan 4.420 nan 0.000 0.215 312 P C 1.550 178.823 177.300 -0.044 0.000 1.163 312 P CA 2.523 65.616 63.100 -0.011 0.000 0.894 312 P CB -0.321 31.372 31.700 -0.011 0.000 0.791 313 A N -0.245 122.536 122.820 -0.066 0.000 1.940 313 A HA -0.207 4.118 4.320 0.007 0.000 0.221 313 A C 2.567 180.072 177.584 -0.132 0.000 1.190 313 A CA 2.602 54.587 52.037 -0.086 0.000 0.647 313 A CB -1.784 17.159 19.000 -0.096 0.000 0.821 313 A HN 0.115 nan 8.150 nan 0.000 0.457 314 V N 1.078 120.867 119.914 -0.208 0.000 2.244 314 V HA -0.289 3.835 4.120 0.007 0.000 0.244 314 V C 2.556 178.449 176.094 -0.334 0.000 1.042 314 V CA 1.996 64.067 62.300 -0.381 0.000 1.006 314 V CB -0.966 30.450 31.823 -0.680 0.000 0.641 314 V HN 0.776 nan 8.190 nan 0.000 0.446 315 I N -0.680 119.783 120.570 -0.177 0.000 2.118 315 I HA -0.267 3.907 4.170 0.007 0.000 0.241 315 I C 2.379 178.514 176.117 0.029 0.000 1.070 315 I CA 2.469 63.807 61.300 0.062 0.000 1.327 315 I CB -1.546 36.549 38.000 0.157 0.000 1.034 315 I HN 0.284 nan 8.210 nan 0.000 0.405 316 T N 0.962 115.519 114.554 0.004 0.000 2.624 316 T HA -0.198 4.156 4.350 0.007 0.000 0.268 316 T C 1.883 176.592 174.700 0.016 0.000 1.041 316 T CA 2.626 64.738 62.100 0.021 0.000 1.159 316 T CB -0.807 68.073 68.868 0.020 0.000 0.863 316 T HN 0.517 nan 8.240 nan 0.000 0.434 317 T N 0.889 115.427 114.554 -0.027 0.000 2.821 317 T HA -0.127 4.227 4.350 0.007 0.000 0.267 317 T C 2.290 176.984 174.700 -0.010 0.000 1.046 317 T CA 1.138 63.224 62.100 -0.024 0.000 1.139 317 T CB -0.779 68.050 68.868 -0.064 0.000 0.871 317 T HN 0.560 nan 8.240 nan 0.000 0.454 318 C N 1.344 120.621 119.300 -0.038 0.000 2.442 318 C HA -0.062 4.402 4.460 0.007 0.000 0.279 318 C C 2.500 177.528 174.990 0.065 0.000 1.237 318 C CA 0.574 59.595 59.018 0.006 0.000 1.722 318 C CB -1.410 26.373 27.740 0.071 0.000 2.056 318 C HN 0.385 nan 8.230 nan 0.000 0.469 319 L N 1.967 123.233 121.223 0.071 0.000 1.990 319 L HA -0.080 4.264 4.340 0.007 0.000 0.213 319 L C 2.968 179.873 176.870 0.057 0.000 1.072 319 L CA 2.538 57.418 54.840 0.067 0.000 0.755 319 L CB -1.463 40.633 42.059 0.063 0.000 0.889 319 L HN 0.478 nan 8.230 nan 0.000 0.432 320 A N -1.005 121.850 122.820 0.059 0.000 1.948 320 A HA -0.205 4.120 4.320 0.007 0.000 0.220 320 A C 2.352 179.970 177.584 0.057 0.000 1.177 320 A CA 1.831 53.907 52.037 0.066 0.000 0.636 320 A CB -0.787 18.264 19.000 0.085 0.000 0.815 320 A HN 0.425 nan 8.150 nan 0.000 0.449 321 L N -1.123 120.136 121.223 0.061 0.000 2.072 321 L HA -0.074 4.270 4.340 0.007 0.000 0.205 321 L C 2.859 179.759 176.870 0.050 0.000 1.079 321 L CA 0.936 55.812 54.840 0.059 0.000 0.752 321 L CB -0.812 41.314 42.059 0.111 0.000 0.906 321 L HN 0.493 nan 8.230 nan 0.000 0.436 322 G N -0.459 108.378 108.800 0.061 0.000 2.446 322 G HA2 -0.261 3.703 3.960 0.007 0.000 0.217 322 G HA3 -0.261 3.703 3.960 0.007 0.000 0.217 322 G C 1.500 176.416 174.900 0.027 0.000 1.168 322 G CA 1.342 46.470 45.100 0.047 0.000 0.771 322 G HN 0.281 nan 8.290 nan 0.000 0.551 323 T N 1.684 116.254 114.554 0.027 0.000 2.536 323 T HA -0.278 4.077 4.350 0.007 0.000 0.263 323 T C 2.397 177.103 174.700 0.011 0.000 1.115 323 T CA 2.242 64.352 62.100 0.016 0.000 1.180 323 T CB -0.353 68.528 68.868 0.021 0.000 0.864 323 T HN 0.644 nan 8.240 nan 0.000 0.419 324 R N 1.356 121.866 120.500 0.015 0.000 2.139 324 R HA -0.047 4.297 4.340 0.007 0.000 0.243 324 R C 2.413 178.713 176.300 -0.001 0.000 1.145 324 R CA 1.629 57.734 56.100 0.008 0.000 0.976 324 R CB -0.416 29.890 30.300 0.010 0.000 0.866 324 R HN 0.281 nan 8.270 nan 0.000 0.449 325 R N 0.571 121.071 120.500 -0.000 0.000 2.070 325 R HA -0.018 4.327 4.340 0.007 0.000 0.233 325 R C 2.376 178.673 176.300 -0.006 0.000 1.137 325 R CA 2.295 58.391 56.100 -0.006 0.000 0.945 325 R CB -0.209 30.091 30.300 -0.001 0.000 0.845 325 R HN 0.312 nan 8.270 nan 0.000 0.430 326 M N -0.308 119.291 119.600 -0.003 0.000 2.159 326 M HA -0.117 4.368 4.480 0.007 0.000 0.263 326 M C 2.339 178.632 176.300 -0.012 0.000 1.063 326 M CA 1.619 56.914 55.300 -0.009 0.000 1.110 326 M CB -0.220 32.374 32.600 -0.011 0.000 1.374 326 M HN 0.248 nan 8.290 nan 0.000 0.411 327 A N -0.125 122.690 122.820 -0.009 0.000 2.125 327 A HA -0.138 4.186 4.320 0.007 0.000 0.219 327 A C 2.216 179.795 177.584 -0.009 0.000 1.156 327 A CA 1.373 53.404 52.037 -0.009 0.000 0.671 327 A CB -0.414 18.583 19.000 -0.005 0.000 0.794 327 A HN 0.226 nan 8.150 nan 0.000 0.459 328 K N 0.133 120.528 120.400 -0.009 0.000 2.243 328 K HA 0.059 4.384 4.320 0.007 0.000 0.201 328 K C 1.143 177.738 176.600 -0.009 0.000 1.051 328 K CA 0.822 57.104 56.287 -0.008 0.000 0.970 328 K CB -0.070 32.425 32.500 -0.009 0.000 0.755 328 K HN 0.493 nan 8.250 nan 0.000 0.465 329 K N 0.827 121.220 120.400 -0.011 0.000 2.458 329 K HA 0.075 4.399 4.320 0.007 0.000 0.194 329 K C -0.189 176.400 176.600 -0.017 0.000 1.024 329 K CA -0.052 56.227 56.287 -0.014 0.000 1.108 329 K CB 0.148 32.639 32.500 -0.016 0.000 0.846 329 K HN 0.103 nan 8.250 nan 0.000 0.518 330 N N -0.377 118.313 118.700 -0.016 0.000 2.882 330 N HA -0.139 4.605 4.740 0.007 0.000 0.249 330 N C -1.015 174.480 175.510 -0.024 0.000 1.079 330 N CA 0.899 53.939 53.050 -0.017 0.000 0.800 330 N CB -1.104 37.374 38.487 -0.015 0.000 1.124 330 N HN 0.269 nan 8.380 nan 0.000 0.557 331 A N 0.886 123.690 122.820 -0.027 0.000 2.293 331 A HA 0.654 4.979 4.320 0.007 0.000 0.312 331 A C 0.370 177.938 177.584 -0.027 0.000 1.309 331 A CA -0.461 51.556 52.037 -0.034 0.000 0.839 331 A CB 0.526 19.500 19.000 -0.043 0.000 1.155 331 A HN 0.239 nan 8.150 nan 0.000 0.501 332 I N 3.530 124.085 120.570 -0.026 0.000 2.308 332 I HA 0.147 4.321 4.170 0.007 0.000 0.293 332 I C -0.275 175.825 176.117 -0.029 0.000 1.078 332 I CA -0.301 60.984 61.300 -0.024 0.000 1.292 332 I CB 1.085 39.072 38.000 -0.022 0.000 1.423 332 I HN 0.278 nan 8.210 nan 0.000 0.493 333 V N 7.888 127.786 119.914 -0.027 0.000 2.498 333 V HA 0.224 4.348 4.120 0.007 0.000 0.279 333 V C 1.078 177.149 176.094 -0.037 0.000 1.048 333 V CA -0.298 61.983 62.300 -0.031 0.000 0.967 333 V CB 1.232 33.040 31.823 -0.024 0.000 0.988 333 V HN 0.733 nan 8.190 nan 0.000 0.473 334 R N 2.009 122.482 120.500 -0.045 0.000 2.397 334 R HA 0.340 4.684 4.340 0.007 0.000 0.241 334 R C -0.135 176.123 176.300 -0.069 0.000 0.914 334 R CA 0.011 56.075 56.100 -0.060 0.000 1.071 334 R CB 0.613 30.877 30.300 -0.059 0.000 1.116 334 R HN 0.584 nan 8.270 nan 0.000 0.524 335 S N 0.495 116.162 115.700 -0.054 0.000 2.706 335 S HA 0.236 4.710 4.470 0.007 0.000 0.270 335 S C 0.735 175.315 174.600 -0.033 0.000 1.163 335 S CA -0.635 57.534 58.200 -0.051 0.000 1.042 335 S CB 1.450 64.620 63.200 -0.050 0.000 1.079 335 S HN 0.053 nan 8.310 nan 0.000 0.474 336 L N 3.562 124.772 121.223 -0.023 0.000 1.997 336 L HA -0.118 4.227 4.340 0.007 0.000 0.216 336 L C -0.334 176.536 176.870 -0.001 0.000 1.074 336 L CA 1.601 56.440 54.840 -0.002 0.000 0.763 336 L CB -1.718 40.351 42.059 0.016 0.000 0.890 336 L HN 0.449 nan 8.230 nan 0.000 0.434 337 P HA -0.224 nan 4.420 nan 0.000 0.218 337 P C 1.596 178.884 177.300 -0.020 0.000 1.150 337 P CA 2.269 65.365 63.100 -0.007 0.000 0.841 337 P CB -0.142 31.550 31.700 -0.012 0.000 0.784 338 S N -1.306 114.378 115.700 -0.027 0.000 2.481 338 S HA -0.031 4.444 4.470 0.007 0.000 0.231 338 S C 2.011 176.589 174.600 -0.036 0.000 0.996 338 S CA 0.564 58.741 58.200 -0.037 0.000 0.942 338 S CB -1.488 61.688 63.200 -0.040 0.000 0.768 338 S HN -0.020 nan 8.310 nan 0.000 0.520 339 V N 3.261 123.162 119.914 -0.021 0.000 2.490 339 V HA -0.192 3.932 4.120 0.007 0.000 0.250 339 V C 2.876 178.964 176.094 -0.010 0.000 1.061 339 V CA 2.096 64.389 62.300 -0.011 0.000 1.064 339 V CB -0.772 31.056 31.823 0.008 0.000 0.670 339 V HN 0.797 nan 8.190 nan 0.000 0.461 340 E N 0.754 120.946 120.200 -0.013 0.000 2.122 340 E HA -0.157 4.197 4.350 0.007 0.000 0.190 340 E C 2.033 178.557 176.600 -0.127 0.000 0.977 340 E CA 1.465 57.850 56.400 -0.025 0.000 0.820 340 E CB -0.684 29.025 29.700 0.014 0.000 0.770 340 E HN 0.663 nan 8.360 nan 0.000 0.462 341 T N -0.128 114.359 114.554 -0.112 0.000 2.995 341 T HA -0.053 4.302 4.350 0.007 0.000 0.269 341 T C 1.829 176.455 174.700 -0.122 0.000 1.091 341 T CA 0.465 62.480 62.100 -0.141 0.000 1.128 341 T CB -0.139 68.671 68.868 -0.096 0.000 0.891 341 T HN 0.049 nan 8.240 nan 0.000 0.492 342 L N 1.946 123.116 121.223 -0.088 0.000 2.275 342 L HA 0.330 4.674 4.340 0.007 0.000 0.215 342 L C 2.465 179.291 176.870 -0.073 0.000 1.119 342 L CA 1.245 56.042 54.840 -0.072 0.000 0.790 342 L CB -1.068 40.958 42.059 -0.055 0.000 0.919 342 L HN 0.394 nan 8.230 nan 0.000 0.443 343 G N -1.039 107.709 108.800 -0.086 0.000 2.394 343 G HA2 -0.217 3.747 3.960 0.007 0.000 0.215 343 G HA3 -0.217 3.747 3.960 0.007 0.000 0.215 343 G C 0.855 175.702 174.900 -0.087 0.000 1.165 343 G CA 0.665 45.728 45.100 -0.061 0.000 0.784 343 G HN 0.581 nan 8.290 nan 0.000 0.535 344 C N 1.712 120.906 119.300 -0.177 0.000 2.560 344 C HA 0.661 5.126 4.460 0.007 0.000 0.506 344 C C 0.149 175.079 174.990 -0.100 0.000 1.116 344 C CA -1.376 57.550 59.018 -0.154 0.000 1.425 344 C CB -1.470 26.106 27.740 -0.274 0.000 1.543 344 C HN 0.046 nan 8.230 nan 0.000 0.586 345 T N 1.487 116.004 114.554 -0.063 0.000 2.779 345 T HA 0.435 4.790 4.350 0.007 0.000 0.280 345 T C 1.039 175.726 174.700 -0.021 0.000 0.987 345 T CA -0.112 61.963 62.100 -0.043 0.000 0.966 345 T CB 1.714 70.557 68.868 -0.042 0.000 0.933 345 T HN 0.742 nan 8.240 nan 0.000 0.442 346 S N 1.378 117.072 115.700 -0.011 0.000 2.520 346 S HA 0.304 4.778 4.470 0.007 0.000 0.219 346 S C 0.309 174.917 174.600 0.012 0.000 1.028 346 S CA -0.302 57.899 58.200 0.002 0.000 0.921 346 S CB 0.293 63.496 63.200 0.006 0.000 0.844 346 S HN 0.443 nan 8.310 nan 0.000 0.495 347 V N 2.177 122.099 119.914 0.013 0.000 2.612 347 V HA 0.516 4.640 4.120 0.007 0.000 0.301 347 V C -1.061 175.046 176.094 0.022 0.000 1.059 347 V CA -0.737 61.578 62.300 0.024 0.000 0.886 347 V CB 1.660 33.502 31.823 0.032 0.000 1.007 347 V HN 0.358 nan 8.190 nan 0.000 0.426 348 I N 3.658 124.251 120.570 0.039 0.000 2.359 348 I HA 0.352 4.526 4.170 0.007 0.000 0.284 348 I C -0.153 176.004 176.117 0.066 0.000 1.018 348 I CA -0.139 61.195 61.300 0.057 0.000 1.173 348 I CB 1.208 39.269 38.000 0.103 0.000 1.326 348 I HN 0.560 nan 8.210 nan 0.000 0.462 349 C N 4.206 123.528 119.300 0.036 0.000 2.527 349 C HA 0.509 4.973 4.460 0.007 0.000 0.396 349 C C 0.777 175.790 174.990 0.039 0.000 1.289 349 C CA -0.059 58.967 59.018 0.014 0.000 2.047 349 C CB 0.587 28.310 27.740 -0.028 0.000 2.568 349 C HN 0.780 nan 8.230 nan 0.000 0.573 350 S N 1.262 116.975 115.700 0.023 0.000 2.541 350 S HA 0.398 4.873 4.470 0.007 0.000 0.280 350 S C -1.052 173.539 174.600 -0.015 0.000 1.112 350 S CA -0.514 57.705 58.200 0.032 0.000 0.925 350 S CB 1.276 64.498 63.200 0.037 0.000 1.067 350 S HN 0.843 nan 8.310 nan 0.000 0.479 351 D N 2.072 122.470 120.400 -0.004 0.000 2.357 351 D HA 0.307 4.952 4.640 0.007 0.000 0.242 351 D C 0.836 177.109 176.300 -0.045 0.000 1.153 351 D CA 0.022 54.010 54.000 -0.020 0.000 0.918 351 D CB 0.936 41.731 40.800 -0.008 0.000 1.181 351 D HN 0.535 nan 8.370 nan 0.000 0.435 352 K N 0.238 120.610 120.400 -0.046 0.000 2.218 352 K HA 0.095 4.420 4.320 0.007 0.000 0.222 352 K C 0.025 176.593 176.600 -0.053 0.000 1.030 352 K CA -0.037 56.211 56.287 -0.065 0.000 0.946 352 K CB -0.266 32.200 32.500 -0.056 0.000 1.000 352 K HN 0.450 nan 8.250 nan 0.000 0.461 353 T N 1.003 115.535 114.554 -0.037 0.000 2.822 353 T HA 0.132 4.486 4.350 0.007 0.000 0.288 353 T C 0.725 175.412 174.700 -0.022 0.000 0.991 353 T CA 1.059 63.142 62.100 -0.029 0.000 1.176 353 T CB 0.219 69.076 68.868 -0.018 0.000 0.951 353 T HN 0.724 nan 8.240 nan 0.000 0.526 354 G N 3.339 112.126 108.800 -0.023 0.000 2.234 354 G HA2 -0.323 3.641 3.960 0.007 0.000 0.260 354 G HA3 -0.323 3.641 3.960 0.007 0.000 0.260 354 G C 0.928 175.826 174.900 -0.003 0.000 0.987 354 G CA 0.741 45.834 45.100 -0.011 0.000 0.625 354 G HN 0.702 nan 8.290 nan 0.000 0.532 355 T N -0.082 114.466 114.554 -0.010 0.000 3.348 355 T HA 0.301 4.655 4.350 0.007 0.000 0.233 355 T C 1.979 176.663 174.700 -0.026 0.000 0.960 355 T CA 1.037 63.145 62.100 0.013 0.000 1.343 355 T CB -0.149 68.733 68.868 0.024 0.000 1.068 355 T HN 0.049 nan 8.240 nan 0.000 0.410 356 L N 2.088 123.248 121.223 -0.105 0.000 2.313 356 L HA 0.205 4.550 4.340 0.007 0.000 0.214 356 L C 1.445 178.247 176.870 -0.114 0.000 1.119 356 L CA 1.031 55.761 54.840 -0.184 0.000 0.809 356 L CB -1.127 40.779 42.059 -0.255 0.000 0.933 356 L HN 0.480 nan 8.230 nan 0.000 0.449 357 T N -5.816 108.690 114.554 -0.080 0.000 2.950 357 T HA 0.345 4.699 4.350 0.007 0.000 0.288 357 T C 1.236 175.902 174.700 -0.056 0.000 1.035 357 T CA 0.085 62.144 62.100 -0.069 0.000 1.028 357 T CB 1.482 70.310 68.868 -0.066 0.000 1.109 357 T HN 0.145 nan 8.240 nan 0.000 0.514 358 T N -1.617 112.896 114.554 -0.068 0.000 2.985 358 T HA 0.026 4.380 4.350 0.007 0.000 0.266 358 T C 0.957 175.613 174.700 -0.074 0.000 1.076 358 T CA 1.032 63.089 62.100 -0.072 0.000 1.135 358 T CB -0.933 67.872 68.868 -0.106 0.000 0.890 358 T HN 1.043 nan 8.240 nan 0.000 0.480 359 N N 0.795 119.448 118.700 -0.078 0.000 2.814 359 N HA -0.172 4.572 4.740 0.007 0.000 0.247 359 N C -1.220 174.238 175.510 -0.086 0.000 1.089 359 N CA 0.154 53.173 53.050 -0.052 0.000 0.682 359 N CB -1.025 37.453 38.487 -0.014 0.000 0.970 359 N HN 0.719 nan 8.380 nan 0.000 0.554 360 Q N 1.168 120.836 119.800 -0.220 0.000 2.374 360 Q HA 0.252 4.597 4.340 0.007 0.000 0.250 360 Q C -0.753 174.986 176.000 -0.435 0.000 0.918 360 Q CA -0.748 54.695 55.803 -0.600 0.000 0.778 360 Q CB 1.447 29.584 28.738 -1.001 0.000 1.328 360 Q HN 0.296 nan 8.270 nan 0.000 0.445 361 M N 1.791 121.330 119.600 -0.102 0.000 2.245 361 M HA 0.074 4.558 4.480 0.007 0.000 0.335 361 M C -0.688 175.604 176.300 -0.013 0.000 1.155 361 M CA 1.066 56.379 55.300 0.022 0.000 1.055 361 M CB 0.458 33.150 32.600 0.153 0.000 1.670 361 M HN 0.458 nan 8.290 nan 0.000 0.447 362 S N 2.549 118.235 115.700 -0.024 0.000 2.548 362 S HA 0.602 5.076 4.470 0.007 0.000 0.276 362 S C -1.244 173.347 174.600 -0.014 0.000 1.129 362 S CA -0.985 57.199 58.200 -0.027 0.000 0.931 362 S CB 1.701 64.857 63.200 -0.074 0.000 1.068 362 S HN 0.477 nan 8.310 nan 0.000 0.480 363 V N 2.768 122.678 119.914 -0.006 0.000 2.408 363 V HA 0.133 4.257 4.120 0.007 0.000 0.267 363 V C 1.127 177.201 176.094 -0.034 0.000 1.047 363 V CA -0.400 61.892 62.300 -0.012 0.000 0.937 363 V CB 0.177 31.995 31.823 -0.008 0.000 0.999 363 V HN 1.221 nan 8.190 nan 0.000 0.472 364 C N 2.584 121.849 119.300 -0.059 0.000 3.230 364 C HA 0.487 4.951 4.460 0.007 0.000 0.300 364 C C 0.647 175.563 174.990 -0.123 0.000 1.292 364 C CA -0.523 58.443 59.018 -0.086 0.000 1.707 364 C CB -0.814 26.863 27.740 -0.105 0.000 2.181 364 C HN 0.730 nan 8.230 nan 0.000 0.655 365 K N 1.118 121.427 120.400 -0.152 0.000 2.508 365 K HA 0.749 5.074 4.320 0.007 0.000 0.260 365 K C -1.111 175.537 176.600 0.080 0.000 0.949 365 K CA -0.322 55.829 56.287 -0.228 0.000 0.834 365 K CB 2.298 34.245 32.500 -0.921 0.000 1.365 365 K HN 0.573 nan 8.250 nan 0.000 0.437 366 M N 0.691 120.529 119.600 0.396 0.000 2.523 366 M HA 0.551 5.035 4.480 0.007 0.000 0.287 366 M C -1.852 174.835 176.300 0.644 0.000 1.160 366 M CA -0.964 54.615 55.300 0.465 0.000 0.902 366 M CB 1.568 34.244 32.600 0.127 0.000 1.752 366 M HN 0.547 nan 8.290 nan 0.000 0.504 367 F N 1.851 121.993 119.950 0.320 0.000 2.645 367 F HA 0.950 5.480 4.527 0.006 0.000 0.310 367 F C -1.611 174.254 175.800 0.110 0.000 1.102 367 F CA -1.054 57.085 58.000 0.232 0.000 0.952 367 F CB 1.450 40.488 39.000 0.064 0.000 1.326 367 F HN 0.828 nan 8.300 nan 0.000 0.456 368 I N 0.158 121.003 120.570 0.459 0.000 3.145 368 I HA 0.566 4.741 4.170 0.007 0.000 0.313 368 I C -0.957 175.363 176.117 0.338 0.000 1.122 368 I CA -1.412 60.066 61.300 0.296 0.000 0.987 368 I CB 2.055 40.118 38.000 0.104 0.000 1.236 368 I HN 0.497 nan 8.210 nan 0.000 0.453 369 I N 2.325 123.058 120.570 0.270 0.000 2.588 369 I HA 0.036 4.210 4.170 0.007 0.000 0.283 369 I C 0.468 176.655 176.117 0.115 0.000 1.119 369 I CA 0.745 62.149 61.300 0.174 0.000 1.419 369 I CB 0.624 38.721 38.000 0.161 0.000 1.394 369 I HN 0.830 nan 8.210 nan 0.000 0.562 370 D N 4.559 124.990 120.400 0.052 0.000 2.943 370 D HA 0.061 4.705 4.640 0.007 0.000 0.282 370 D C 0.142 176.467 176.300 0.041 0.000 1.148 370 D CA 0.906 54.942 54.000 0.061 0.000 1.006 370 D CB 0.630 41.454 40.800 0.040 0.000 1.168 370 D HN 0.369 nan 8.370 nan 0.000 0.450 371 K N -0.125 120.251 120.400 -0.040 0.000 2.498 371 K HA 0.613 4.937 4.320 0.007 0.000 0.254 371 K C -1.887 174.622 176.600 -0.151 0.000 0.933 371 K CA -0.748 55.525 56.287 -0.024 0.000 0.806 371 K CB 2.327 34.884 32.500 0.094 0.000 1.301 371 K HN -0.104 nan 8.250 nan 0.000 0.432 372 V N 2.770 122.661 119.914 -0.038 0.000 2.709 372 V HA 0.608 4.732 4.120 0.007 0.000 0.308 372 V C -1.175 174.961 176.094 0.069 0.000 1.062 372 V CA -0.726 61.547 62.300 -0.045 0.000 0.901 372 V CB 2.090 33.900 31.823 -0.022 0.000 1.003 372 V HN 0.848 nan 8.190 nan 0.000 0.425 373 D N 1.303 121.770 120.400 0.113 0.000 2.655 373 D HA 0.523 5.167 4.640 0.007 0.000 0.229 373 D C 0.137 176.506 176.300 0.115 0.000 1.229 373 D CA -0.051 54.035 54.000 0.144 0.000 0.807 373 D CB 2.141 43.078 40.800 0.228 0.000 1.514 373 D HN 0.838 nan 8.370 nan 0.000 0.444 374 G N 1.049 109.895 108.800 0.078 0.000 2.265 374 G HA2 0.244 4.209 3.960 0.007 0.000 0.240 374 G HA3 0.244 4.209 3.960 0.007 0.000 0.240 374 G C 0.192 175.138 174.900 0.077 0.000 1.270 374 G CA 0.277 45.410 45.100 0.055 0.000 0.901 374 G HN 0.604 nan 8.290 nan 0.000 0.507 375 D N -0.856 119.575 120.400 0.051 0.000 2.946 375 D HA -0.211 4.433 4.640 0.007 0.000 0.202 375 D C 0.072 176.446 176.300 0.122 0.000 1.068 375 D CA 1.917 55.952 54.000 0.059 0.000 1.011 375 D CB -1.287 39.546 40.800 0.055 0.000 1.105 375 D HN 0.503 nan 8.370 nan 0.000 0.425 376 F N 1.543 121.478 119.950 -0.025 0.000 2.499 376 F HA 0.514 5.046 4.527 0.007 0.000 0.333 376 F C -1.075 174.709 175.800 -0.028 0.000 1.138 376 F CA -1.276 56.708 58.000 -0.027 0.000 0.945 376 F CB 1.482 40.471 39.000 -0.019 0.000 1.181 376 F HN 0.054 nan 8.300 nan 0.000 0.435 377 C N 6.121 125.002 119.300 -0.698 0.000 2.397 377 C HA 0.829 5.293 4.460 0.007 0.000 0.325 377 C C -0.671 173.875 174.990 -0.741 0.000 1.201 377 C CA -0.134 58.470 59.018 -0.690 0.000 1.377 377 C CB 0.128 27.668 27.740 -0.333 0.000 2.038 377 C HN 0.993 nan 8.230 nan 0.000 0.457 378 S N 6.595 121.850 115.700 -0.742 0.000 2.532 378 S HA 0.850 5.325 4.470 0.007 0.000 0.301 378 S C -0.765 173.697 174.600 -0.230 0.000 1.083 378 S CA -0.626 57.330 58.200 -0.406 0.000 1.025 378 S CB 1.058 64.105 63.200 -0.254 0.000 1.056 378 S HN 0.778 nan 8.310 nan 0.000 0.494 379 L N 1.465 122.578 121.223 -0.185 0.000 2.421 379 L HA 0.625 4.969 4.340 0.007 0.000 0.267 379 L C -0.191 176.650 176.870 -0.049 0.000 1.036 379 L CA -1.130 53.637 54.840 -0.122 0.000 0.829 379 L CB 0.902 42.775 42.059 -0.310 0.000 1.437 379 L HN 0.665 nan 8.230 nan 0.000 0.488 380 N N 0.260 118.989 118.700 0.049 0.000 2.762 380 N HA 0.177 4.921 4.740 0.007 0.000 0.252 380 N C -1.240 174.316 175.510 0.076 0.000 1.269 380 N CA -0.286 52.774 53.050 0.016 0.000 0.799 380 N CB 0.709 39.300 38.487 0.173 0.000 1.173 380 N HN 0.439 nan 8.380 nan 0.000 0.516 381 E N 0.868 121.028 120.200 -0.066 0.000 2.390 381 E HA 0.291 4.645 4.350 0.007 0.000 0.261 381 E C -0.631 175.847 176.600 -0.203 0.000 1.076 381 E CA 0.280 56.780 56.400 0.166 0.000 0.905 381 E CB 1.035 30.865 29.700 0.216 0.000 0.984 381 E HN 0.250 nan 8.360 nan 0.000 0.427 382 F N -0.255 119.814 119.950 0.199 0.000 2.645 382 F HA 0.269 4.800 4.527 0.007 0.000 0.310 382 F C -0.156 175.664 175.800 0.033 0.000 1.102 382 F CA -0.815 57.224 58.000 0.066 0.000 0.952 382 F CB 1.970 40.973 39.000 0.005 0.000 1.326 382 F HN 0.388 nan 8.300 nan 0.000 0.456 383 S N 2.074 117.882 115.700 0.181 0.000 2.566 383 S HA 0.907 5.382 4.470 0.007 0.000 0.298 383 S C -1.468 173.168 174.600 0.059 0.000 1.083 383 S CA -0.715 57.516 58.200 0.051 0.000 0.978 383 S CB 1.984 65.180 63.200 -0.006 0.000 1.073 383 S HN 0.383 nan 8.310 nan 0.000 0.491 384 I N 2.277 122.852 120.570 0.008 0.000 2.545 384 I HA 0.476 4.650 4.170 0.007 0.000 0.292 384 I C 0.520 176.627 176.117 -0.017 0.000 1.040 384 I CA -0.501 60.800 61.300 0.001 0.000 1.068 384 I CB 1.349 39.341 38.000 -0.013 0.000 1.251 384 I HN 0.976 nan 8.210 nan 0.000 0.424 385 T N 0.824 115.371 114.554 -0.011 0.000 2.927 385 T HA 0.886 5.240 4.350 0.007 0.000 0.281 385 T C 0.183 174.869 174.700 -0.023 0.000 0.998 385 T CA -0.484 61.605 62.100 -0.018 0.000 1.019 385 T CB 1.959 70.822 68.868 -0.009 0.000 1.061 385 T HN 1.413 nan 8.240 nan 0.000 0.518 386 G N -0.455 108.328 108.800 -0.028 0.000 2.627 386 G HA2 0.255 4.220 3.960 0.007 0.000 0.680 386 G HA3 0.255 4.220 3.960 0.007 0.000 0.680 386 G C -0.057 174.812 174.900 -0.050 0.000 1.341 386 G CA -0.036 45.045 45.100 -0.032 0.000 0.835 386 G HN 1.224 nan 8.290 nan 0.000 0.643 387 S N -0.337 115.327 115.700 -0.059 0.000 2.733 387 S HA 0.509 4.984 4.470 0.007 0.000 0.247 387 S C 0.908 175.426 174.600 -0.136 0.000 1.043 387 S CA 1.418 59.566 58.200 -0.087 0.000 1.066 387 S CB 0.264 63.423 63.200 -0.068 0.000 1.045 387 S HN 1.626 nan 8.310 nan 0.000 0.586 388 T N -0.937 113.547 114.554 -0.116 0.000 2.927 388 T HA 0.510 4.864 4.350 0.007 0.000 0.286 388 T C 0.140 174.755 174.700 -0.142 0.000 1.040 388 T CA -0.406 61.601 62.100 -0.155 0.000 1.010 388 T CB 0.745 69.596 68.868 -0.028 0.000 1.177 388 T HN 0.116 nan 8.240 nan 0.000 0.546 389 Y N 1.212 121.523 120.300 0.017 0.000 2.571 389 Y HA 0.372 4.926 4.550 0.007 0.000 0.294 389 Y C 1.810 177.663 175.900 -0.079 0.000 1.141 389 Y CA 0.165 58.259 58.100 -0.010 0.000 1.308 389 Y CB -0.947 37.527 38.460 0.025 0.000 1.002 389 Y HN 0.711 nan 8.280 nan 0.000 0.551 390 A N 2.375 125.237 122.820 0.071 0.000 2.531 390 A HA 0.072 4.397 4.320 0.007 0.000 0.236 390 A C -1.446 176.016 177.584 -0.203 0.000 1.062 390 A CA -0.866 51.079 52.037 -0.153 0.000 0.760 390 A CB -0.214 18.870 19.000 0.141 0.000 0.995 390 A HN 0.130 nan 8.150 nan 0.000 0.501 391 P HA 0.021 nan 4.420 nan 0.000 0.271 391 P C -0.343 176.897 177.300 -0.100 0.000 1.535 391 P CA 0.443 63.424 63.100 -0.199 0.000 0.820 391 P CB -0.245 31.313 31.700 -0.237 0.000 1.606 392 E N 0.794 120.958 120.200 -0.061 0.000 2.028 392 E HA 0.451 4.805 4.350 0.007 0.000 0.275 392 E C 0.666 177.260 176.600 -0.010 0.000 1.171 392 E CA -0.401 55.993 56.400 -0.011 0.000 1.186 392 E CB 0.194 29.913 29.700 0.032 0.000 1.256 392 E HN 0.276 nan 8.360 nan 0.000 0.474 393 G N 1.566 110.356 108.800 -0.016 0.000 2.506 393 G HA2 0.381 4.346 3.960 0.007 0.000 0.292 393 G HA3 0.381 4.346 3.960 0.007 0.000 0.292 393 G C -1.410 173.485 174.900 -0.009 0.000 1.425 393 G CA -0.729 44.365 45.100 -0.011 0.000 0.788 393 G HN 0.169 nan 8.290 nan 0.000 0.490 394 E N -1.102 119.098 120.200 -0.000 0.000 2.367 394 E HA 0.597 4.952 4.350 0.007 0.000 0.273 394 E C -0.398 176.214 176.600 0.020 0.000 0.903 394 E CA -0.670 55.735 56.400 0.009 0.000 0.764 394 E CB 2.888 32.600 29.700 0.019 0.000 1.252 394 E HN 0.401 nan 8.360 nan 0.000 0.446 395 V N 2.089 122.020 119.914 0.029 0.000 2.953 395 V HA 0.539 4.663 4.120 0.007 0.000 0.304 395 V C -0.448 175.713 176.094 0.111 0.000 1.073 395 V CA -0.381 61.954 62.300 0.059 0.000 1.064 395 V CB 0.355 32.196 31.823 0.029 0.000 1.047 395 V HN 0.551 nan 8.190 nan 0.000 0.478 396 L N 0.669 121.992 121.223 0.166 0.000 2.641 396 L HA 0.577 4.922 4.340 0.007 0.000 0.261 396 L C -0.894 176.067 176.870 0.153 0.000 0.926 396 L CA -0.704 54.232 54.840 0.160 0.000 0.917 396 L CB 1.583 43.693 42.059 0.084 0.000 1.361 396 L HN 0.483 nan 8.230 nan 0.000 0.417 397 K N 2.766 123.242 120.400 0.126 0.000 2.234 397 K HA 0.436 4.760 4.320 0.007 0.000 0.277 397 K C -0.339 176.236 176.600 -0.042 0.000 1.038 397 K CA -0.325 55.915 56.287 -0.079 0.000 0.888 397 K CB 0.502 32.920 32.500 -0.137 0.000 1.091 397 K HN 0.807 nan 8.250 nan 0.000 0.467 398 N N 4.205 122.863 118.700 -0.071 0.000 2.708 398 N HA -0.184 4.560 4.740 0.007 0.000 0.255 398 N C -1.131 174.374 175.510 -0.008 0.000 1.046 398 N CA 1.476 54.504 53.050 -0.037 0.000 0.715 398 N CB -1.204 37.264 38.487 -0.031 0.000 0.895 398 N HN 0.936 nan 8.380 nan 0.000 0.545 399 D N -1.750 118.648 120.400 -0.004 0.000 2.931 399 D HA -0.230 4.415 4.640 0.007 0.000 0.228 399 D C -0.345 175.966 176.300 0.019 0.000 1.180 399 D CA 1.278 55.282 54.000 0.006 0.000 0.784 399 D CB -0.105 40.695 40.800 -0.001 0.000 1.093 399 D HN 0.403 nan 8.370 nan 0.000 0.421 400 K N 0.051 120.470 120.400 0.032 0.000 2.541 400 K HA 0.300 4.625 4.320 0.007 0.000 0.250 400 K C -2.571 174.071 176.600 0.070 0.000 0.950 400 K CA -1.849 54.464 56.287 0.043 0.000 0.805 400 K CB 1.964 34.487 32.500 0.039 0.000 1.166 400 K HN -0.114 nan 8.250 nan 0.000 0.430 401 P HA -0.002 nan 4.420 nan 0.000 0.264 401 P C -0.123 177.252 177.300 0.124 0.000 1.179 401 P CA -0.006 63.149 63.100 0.091 0.000 0.763 401 P CB 0.420 32.158 31.700 0.063 0.000 0.806 402 I N -0.304 120.370 120.570 0.174 0.000 2.571 402 I HA 0.348 4.523 4.170 0.007 0.000 0.286 402 I C -0.300 175.942 176.117 0.208 0.000 1.134 402 I CA -1.538 59.900 61.300 0.229 0.000 1.052 402 I CB 1.489 39.743 38.000 0.423 0.000 1.237 402 I HN 0.304 nan 8.210 nan 0.000 0.435 403 R N 4.112 124.685 120.500 0.122 0.000 2.501 403 R HA 0.054 4.398 4.340 0.007 0.000 0.319 403 R C 0.433 176.802 176.300 0.116 0.000 0.913 403 R CA 0.737 56.882 56.100 0.076 0.000 1.104 403 R CB 0.563 30.880 30.300 0.029 0.000 0.901 403 R HN 0.865 nan 8.270 nan 0.000 0.407 404 S N 3.643 119.391 115.700 0.080 0.000 2.383 404 S HA -0.146 4.329 4.470 0.007 0.000 0.229 404 S C 1.836 176.475 174.600 0.065 0.000 1.030 404 S CA 1.414 59.656 58.200 0.070 0.000 1.002 404 S CB -0.133 63.021 63.200 -0.076 0.000 0.829 404 S HN 0.867 nan 8.310 nan 0.000 0.467 405 G N 0.959 109.757 108.800 -0.003 0.000 2.475 405 G HA2 -0.270 3.694 3.960 0.007 0.000 0.220 405 G HA3 -0.270 3.694 3.960 0.007 0.000 0.220 405 G C 1.128 176.023 174.900 -0.009 0.000 1.125 405 G CA 0.646 45.737 45.100 -0.014 0.000 0.755 405 G HN 0.500 nan 8.290 nan 0.000 0.565 406 Q N -0.703 119.058 119.800 -0.064 0.000 2.541 406 Q HA 0.057 4.402 4.340 0.007 0.000 0.215 406 Q C -0.575 175.229 176.000 -0.325 0.000 0.977 406 Q CA 0.114 55.793 55.803 -0.206 0.000 0.934 406 Q CB -0.090 28.461 28.738 -0.312 0.000 0.988 406 Q HN 0.392 nan 8.270 nan 0.000 0.521 407 F N 0.025 119.970 119.950 -0.009 0.000 2.427 407 F HA 0.211 4.742 4.527 0.008 0.000 0.348 407 F C 0.692 176.471 175.800 -0.034 0.000 1.125 407 F CA -1.065 56.932 58.000 -0.004 0.000 0.989 407 F CB 1.528 40.512 39.000 -0.026 0.000 1.165 407 F HN -0.132 nan 8.300 nan 0.000 0.442 408 D N 2.543 123.041 120.400 0.163 0.000 2.092 408 D HA -0.144 4.500 4.640 0.007 0.000 0.193 408 D C 2.309 178.638 176.300 0.049 0.000 0.994 408 D CA 1.755 55.807 54.000 0.086 0.000 0.828 408 D CB -0.252 40.594 40.800 0.077 0.000 0.963 408 D HN 0.775 nan 8.370 nan 0.000 0.450 409 G N 1.149 109.988 108.800 0.065 0.000 2.513 409 G HA2 -0.242 3.722 3.960 0.007 0.000 0.219 409 G HA3 -0.242 3.722 3.960 0.007 0.000 0.219 409 G C 1.712 176.566 174.900 -0.075 0.000 1.160 409 G CA 0.506 45.608 45.100 0.002 0.000 0.767 409 G HN 0.306 nan 8.290 nan 0.000 0.571 410 L N 0.733 121.899 121.223 -0.095 0.000 2.549 410 L HA -0.034 4.310 4.340 0.007 0.000 0.230 410 L C 2.580 179.332 176.870 -0.197 0.000 1.162 410 L CA -0.063 54.661 54.840 -0.195 0.000 0.834 410 L CB -0.216 41.674 42.059 -0.281 0.000 0.947 410 L HN 0.126 nan 8.230 nan 0.000 0.452 411 V N -0.738 119.085 119.914 -0.151 0.000 2.649 411 V HA -0.167 3.957 4.120 0.007 0.000 0.248 411 V C 2.291 178.255 176.094 -0.216 0.000 1.054 411 V CA 1.362 63.532 62.300 -0.218 0.000 1.073 411 V CB -0.101 31.659 31.823 -0.106 0.000 0.699 411 V HN 0.407 nan 8.190 nan 0.000 0.463 412 E N 0.068 120.170 120.200 -0.164 0.000 2.122 412 E HA -0.117 4.237 4.350 0.007 0.000 0.190 412 E C 2.181 178.625 176.600 -0.261 0.000 0.977 412 E CA 0.437 56.718 56.400 -0.198 0.000 0.820 412 E CB -0.020 29.600 29.700 -0.134 0.000 0.770 412 E HN 0.350 nan 8.360 nan 0.000 0.462 413 L N 1.052 122.134 121.223 -0.233 0.000 1.989 413 L HA -0.144 4.200 4.340 0.007 0.000 0.211 413 L C 2.229 178.948 176.870 -0.250 0.000 1.071 413 L CA 2.456 57.149 54.840 -0.246 0.000 0.749 413 L CB -1.393 40.525 42.059 -0.235 0.000 0.890 413 L HN 0.221 nan 8.230 nan 0.000 0.431 414 A N -1.342 121.325 122.820 -0.255 0.000 1.972 414 A HA -0.163 4.161 4.320 0.007 0.000 0.219 414 A C 2.169 179.598 177.584 -0.259 0.000 1.169 414 A CA 1.995 53.881 52.037 -0.250 0.000 0.635 414 A CB -0.848 17.979 19.000 -0.288 0.000 0.810 414 A HN 0.551 nan 8.150 nan 0.000 0.446 415 T N 0.340 114.711 114.554 -0.306 0.000 2.812 415 T HA -0.042 4.312 4.350 0.007 0.000 0.264 415 T C 1.799 176.230 174.700 -0.449 0.000 1.042 415 T CA 1.405 63.299 62.100 -0.343 0.000 1.140 415 T CB -0.369 68.264 68.868 -0.390 0.000 0.870 415 T HN 0.445 nan 8.240 nan 0.000 0.445 416 I N 0.979 121.240 120.570 -0.514 0.000 2.179 416 I HA -0.194 3.981 4.170 0.007 0.000 0.242 416 I C 2.650 178.641 176.117 -0.211 0.000 1.088 416 I CA 0.855 61.894 61.300 -0.435 0.000 1.357 416 I CB -0.603 37.210 38.000 -0.312 0.000 1.051 416 I HN 0.319 nan 8.210 nan 0.000 0.409 417 C N 0.910 120.099 119.300 -0.184 0.000 2.413 417 C HA -0.160 4.305 4.460 0.007 0.000 0.276 417 C C 3.178 178.112 174.990 -0.093 0.000 1.248 417 C CA 1.044 59.991 59.018 -0.118 0.000 1.742 417 C CB -1.296 26.373 27.740 -0.118 0.000 2.017 417 C HN 0.612 nan 8.230 nan 0.000 0.481 418 A N -0.432 122.321 122.820 -0.111 0.000 1.929 418 A HA 0.041 4.365 4.320 0.007 0.000 0.216 418 A C 2.095 179.655 177.584 -0.041 0.000 1.176 418 A CA 1.171 53.166 52.037 -0.071 0.000 0.628 418 A CB -0.375 18.582 19.000 -0.072 0.000 0.816 418 A HN 0.593 nan 8.150 nan 0.000 0.444 419 L N -1.491 119.701 121.223 -0.051 0.000 2.145 419 L HA 0.003 4.347 4.340 0.007 0.000 0.201 419 L C 1.423 178.325 176.870 0.055 0.000 1.075 419 L CA 0.448 55.302 54.840 0.025 0.000 0.773 419 L CB -0.000 42.111 42.059 0.087 0.000 0.936 419 L HN 0.448 nan 8.230 nan 0.000 0.451 420 C N 2.012 121.340 119.300 0.046 0.000 2.484 420 C HA 0.320 4.784 4.460 0.007 0.000 0.494 420 C C 0.115 175.122 174.990 0.028 0.000 1.052 420 C CA -0.322 58.730 59.018 0.056 0.000 1.307 420 C CB -2.339 25.445 27.740 0.074 0.000 1.464 420 C HN 0.469 nan 8.230 nan 0.000 0.564 421 N N 2.200 120.914 118.700 0.024 0.000 2.718 421 N HA 0.129 4.874 4.740 0.007 0.000 0.260 421 N C -0.937 174.581 175.510 0.013 0.000 1.089 421 N CA -0.324 52.733 53.050 0.012 0.000 1.021 421 N CB 0.989 39.471 38.487 -0.007 0.000 1.618 421 N HN 0.372 nan 8.380 nan 0.000 0.554 422 D N 1.686 122.095 120.400 0.015 0.000 2.460 422 D HA 0.199 4.843 4.640 0.007 0.000 0.229 422 D C -0.406 175.893 176.300 -0.001 0.000 1.170 422 D CA 0.390 54.398 54.000 0.014 0.000 0.827 422 D CB 0.623 41.438 40.800 0.025 0.000 0.973 422 D HN 0.283 nan 8.370 nan 0.000 0.496 423 S N -0.611 115.080 115.700 -0.014 0.000 2.740 423 S HA 0.759 5.233 4.470 0.007 0.000 0.300 423 S C -0.223 174.355 174.600 -0.037 0.000 1.147 423 S CA -0.670 57.511 58.200 -0.032 0.000 0.871 423 S CB 2.241 65.410 63.200 -0.052 0.000 1.173 423 S HN 0.215 nan 8.310 nan 0.000 0.510 424 S N -0.158 115.511 115.700 -0.053 0.000 2.615 424 S HA 0.744 5.218 4.470 0.007 0.000 0.269 424 S C -1.439 173.122 174.600 -0.065 0.000 1.161 424 S CA -0.697 57.477 58.200 -0.044 0.000 0.817 424 S CB 0.893 64.084 63.200 -0.015 0.000 1.131 424 S HN 0.450 nan 8.310 nan 0.000 0.467 425 L N 1.160 122.362 121.223 -0.035 0.000 2.416 425 L HA 0.852 5.196 4.340 0.007 0.000 0.263 425 L C -0.839 176.068 176.870 0.062 0.000 1.065 425 L CA 0.418 55.251 54.840 -0.012 0.000 0.798 425 L CB 1.057 43.118 42.059 0.004 0.000 1.267 425 L HN 1.020 nan 8.230 nan 0.000 0.467 426 D N 0.701 121.191 120.400 0.151 0.000 2.530 426 D HA 0.043 4.688 4.640 0.007 0.000 0.193 426 D C -1.801 174.644 176.300 0.242 0.000 1.243 426 D CA -0.386 53.719 54.000 0.176 0.000 0.803 426 D CB 0.425 41.267 40.800 0.071 0.000 1.955 426 D HN 0.228 nan 8.370 nan 0.000 0.529 427 F N 4.272 124.293 119.950 0.119 0.000 2.444 427 F HA 0.303 4.835 4.527 0.007 0.000 0.360 427 F C 0.573 176.317 175.800 -0.092 0.000 1.106 427 F CA -0.555 57.381 58.000 -0.105 0.000 1.170 427 F CB 0.542 39.359 39.000 -0.304 0.000 1.113 427 F HN 0.237 nan 8.300 nan 0.000 0.521 428 N N 5.970 124.306 118.700 -0.606 0.000 2.402 428 N HA -0.037 4.707 4.740 0.007 0.000 0.252 428 N C 1.153 176.360 175.510 -0.505 0.000 1.118 428 N CA -0.059 52.756 53.050 -0.391 0.000 0.945 428 N CB 0.634 38.938 38.487 -0.305 0.000 1.147 428 N HN 0.769 nan 8.380 nan 0.000 0.495 429 E N 3.027 123.142 120.200 -0.143 0.000 2.118 429 E HA -0.177 4.178 4.350 0.007 0.000 0.195 429 E C 0.703 177.283 176.600 -0.034 0.000 0.992 429 E CA 1.553 57.969 56.400 0.026 0.000 0.804 429 E CB -0.746 29.002 29.700 0.079 0.000 0.741 429 E HN 0.530 nan 8.360 nan 0.000 0.458 430 T N 1.809 116.318 114.554 -0.075 0.000 2.612 430 T HA -0.074 4.280 4.350 0.007 0.000 0.259 430 T C 1.864 176.514 174.700 -0.083 0.000 1.065 430 T CA 1.671 63.736 62.100 -0.059 0.000 1.167 430 T CB -0.177 68.660 68.868 -0.052 0.000 0.863 430 T HN 0.227 nan 8.240 nan 0.000 0.407 431 K N 0.547 120.871 120.400 -0.127 0.000 2.211 431 K HA 0.015 4.339 4.320 0.007 0.000 0.204 431 K C 1.519 178.027 176.600 -0.152 0.000 1.047 431 K CA 0.836 57.047 56.287 -0.126 0.000 0.935 431 K CB -0.243 32.174 32.500 -0.138 0.000 0.728 431 K HN 0.542 nan 8.250 nan 0.000 0.452 432 G N 0.874 109.520 108.800 -0.257 0.000 2.132 432 G HA2 -0.209 3.756 3.960 0.007 0.000 0.228 432 G HA3 -0.209 3.756 3.960 0.007 0.000 0.228 432 G C -0.336 174.341 174.900 -0.372 0.000 1.000 432 G CA 0.109 45.090 45.100 -0.198 0.000 0.693 432 G HN 0.242 nan 8.290 nan 0.000 0.515 433 V N -0.634 118.805 119.914 -0.792 0.000 3.120 433 V HA 0.729 4.853 4.120 0.007 0.000 0.303 433 V C -0.367 175.280 176.094 -0.746 0.000 1.238 433 V CA -1.675 60.268 62.300 -0.595 0.000 1.008 433 V CB 1.489 33.221 31.823 -0.152 0.000 1.064 433 V HN 0.394 nan 8.190 nan 0.000 0.434 434 Y N 2.929 123.134 120.300 -0.159 0.000 2.457 434 Y HA 0.490 5.045 4.550 0.007 0.000 0.341 434 Y C 0.838 176.744 175.900 0.009 0.000 1.240 434 Y CA 0.296 58.398 58.100 0.002 0.000 1.437 434 Y CB 0.491 39.078 38.460 0.211 0.000 1.328 434 Y HN 0.567 nan 8.280 nan 0.000 0.588 435 E N 0.956 121.249 120.200 0.155 0.000 2.408 435 E HA 0.333 4.688 4.350 0.007 0.000 0.275 435 E C -1.338 175.253 176.600 -0.015 0.000 0.935 435 E CA -1.521 54.935 56.400 0.094 0.000 0.775 435 E CB 2.120 31.828 29.700 0.014 0.000 1.277 435 E HN 0.471 nan 8.360 nan 0.000 0.455 436 K N -0.696 119.608 120.400 -0.160 0.000 2.126 436 K HA 0.487 4.812 4.320 0.007 0.000 0.257 436 K C -0.706 175.802 176.600 -0.153 0.000 1.007 436 K CA -0.583 55.505 56.287 -0.331 0.000 0.928 436 K CB 0.909 33.022 32.500 -0.646 0.000 1.013 436 K HN 0.167 nan 8.250 nan 0.000 0.473 437 V N 1.974 121.805 119.914 -0.137 0.000 2.398 437 V HA 0.645 4.769 4.120 0.007 0.000 0.282 437 V C 0.401 176.452 176.094 -0.072 0.000 1.014 437 V CA 0.140 62.397 62.300 -0.073 0.000 0.838 437 V CB -0.053 31.744 31.823 -0.043 0.000 1.018 437 V HN 1.164 nan 8.190 nan 0.000 0.432 438 G N 4.598 113.363 108.800 -0.058 0.000 2.416 438 G HA2 -0.091 3.874 3.960 0.007 0.000 0.203 438 G HA3 -0.091 3.874 3.960 0.007 0.000 0.203 438 G C -0.497 174.371 174.900 -0.053 0.000 1.227 438 G CA -0.506 44.567 45.100 -0.046 0.000 1.041 438 G HN 0.720 nan 8.290 nan 0.000 0.546 439 E N 1.086 121.259 120.200 -0.044 0.000 2.351 439 E HA 0.566 4.920 4.350 0.007 0.000 0.266 439 E C 1.401 177.973 176.600 -0.045 0.000 1.031 439 E CA 1.151 57.529 56.400 -0.037 0.000 0.911 439 E CB 0.891 30.570 29.700 -0.034 0.000 0.986 439 E HN 1.241 nan 8.360 nan 0.000 0.446 440 A N 3.432 126.241 122.820 -0.018 0.000 2.019 440 A HA -0.168 4.157 4.320 0.007 0.000 0.219 440 A C 2.128 179.749 177.584 0.063 0.000 1.164 440 A CA 1.862 53.913 52.037 0.022 0.000 0.644 440 A CB -0.386 18.697 19.000 0.137 0.000 0.805 440 A HN 0.644 nan 8.150 nan 0.000 0.449 441 T N -1.010 113.565 114.554 0.035 0.000 3.035 441 T HA -0.046 4.308 4.350 0.007 0.000 0.268 441 T C 1.643 176.356 174.700 0.022 0.000 1.109 441 T CA 1.529 63.651 62.100 0.037 0.000 1.119 441 T CB -0.177 68.701 68.868 0.017 0.000 0.900 441 T HN 0.671 nan 8.240 nan 0.000 0.503 442 E N -0.378 119.819 120.200 -0.005 0.000 2.162 442 E HA 0.017 4.372 4.350 0.007 0.000 0.193 442 E C 2.226 178.804 176.600 -0.036 0.000 0.953 442 E CA 0.716 57.106 56.400 -0.016 0.000 0.849 442 E CB 0.075 29.761 29.700 -0.022 0.000 0.810 442 E HN 0.322 nan 8.360 nan 0.000 0.470 443 T N 1.483 115.986 114.554 -0.085 0.000 2.897 443 T HA -0.156 4.198 4.350 0.007 0.000 0.271 443 T C 1.932 176.601 174.700 -0.052 0.000 1.084 443 T CA 1.018 63.021 62.100 -0.161 0.000 1.123 443 T CB -0.155 68.461 68.868 -0.421 0.000 0.865 443 T HN 0.189 nan 8.240 nan 0.000 0.496 444 A N 1.184 124.040 122.820 0.060 0.000 1.933 444 A HA -0.006 4.318 4.320 0.007 0.000 0.218 444 A C 2.116 179.729 177.584 0.050 0.000 1.175 444 A CA 1.231 53.351 52.037 0.139 0.000 0.628 444 A CB -0.618 18.458 19.000 0.127 0.000 0.814 444 A HN 0.428 nan 8.150 nan 0.000 0.444 445 L N -0.911 120.317 121.223 0.009 0.000 2.109 445 L HA -0.073 4.271 4.340 0.007 0.000 0.207 445 L C 2.661 179.511 176.870 -0.034 0.000 1.086 445 L CA 1.956 56.783 54.840 -0.021 0.000 0.760 445 L CB -1.055 40.985 42.059 -0.032 0.000 0.910 445 L HN 0.264 nan 8.230 nan 0.000 0.437 446 T N -1.109 113.424 114.554 -0.035 0.000 2.684 446 T HA -0.208 4.146 4.350 0.007 0.000 0.267 446 T C 1.882 176.558 174.700 -0.040 0.000 1.036 446 T CA 2.102 64.176 62.100 -0.044 0.000 1.148 446 T CB -0.316 68.520 68.868 -0.054 0.000 0.863 446 T HN 0.355 nan 8.240 nan 0.000 0.436 447 T N 2.230 116.774 114.554 -0.017 0.000 2.867 447 T HA -0.010 4.345 4.350 0.007 0.000 0.268 447 T C 1.871 176.552 174.700 -0.031 0.000 1.057 447 T CA 0.710 62.802 62.100 -0.014 0.000 1.136 447 T CB -0.413 68.492 68.868 0.062 0.000 0.874 447 T HN 0.161 nan 8.240 nan 0.000 0.466 448 L N 2.420 123.627 121.223 -0.027 0.000 2.079 448 L HA -0.099 4.245 4.340 0.007 0.000 0.210 448 L C 2.492 179.318 176.870 -0.073 0.000 1.081 448 L CA 1.608 56.420 54.840 -0.047 0.000 0.752 448 L CB -0.775 41.255 42.059 -0.049 0.000 0.896 448 L HN 0.272 nan 8.230 nan 0.000 0.433 449 V N -3.309 116.556 119.914 -0.081 0.000 2.323 449 V HA -0.121 4.003 4.120 0.007 0.000 0.244 449 V C 2.327 178.367 176.094 -0.090 0.000 1.041 449 V CA 1.483 63.721 62.300 -0.102 0.000 1.025 449 V CB -1.213 30.549 31.823 -0.102 0.000 0.656 449 V HN 0.409 nan 8.190 nan 0.000 0.451 450 E N 0.960 121.116 120.200 -0.073 0.000 2.273 450 E HA -0.219 4.135 4.350 0.007 0.000 0.198 450 E C 2.100 178.660 176.600 -0.066 0.000 1.002 450 E CA 1.693 58.053 56.400 -0.067 0.000 0.828 450 E CB -0.255 29.397 29.700 -0.080 0.000 0.747 450 E HN 0.723 nan 8.360 nan 0.000 0.491 451 K N -0.226 120.134 120.400 -0.067 0.000 2.099 451 K HA 0.129 4.453 4.320 0.007 0.000 0.203 451 K C 2.321 178.886 176.600 -0.059 0.000 1.047 451 K CA 0.520 56.774 56.287 -0.056 0.000 0.963 451 K CB -0.063 32.408 32.500 -0.049 0.000 0.759 451 K HN 0.024 nan 8.250 nan 0.000 0.451 452 M N 1.011 120.562 119.600 -0.083 0.000 2.149 452 M HA -0.166 4.318 4.480 0.007 0.000 0.261 452 M C 0.539 176.775 176.300 -0.105 0.000 1.064 452 M CA 0.824 56.060 55.300 -0.107 0.000 1.102 452 M CB -0.512 31.997 32.600 -0.151 0.000 1.369 452 M HN 0.182 nan 8.290 nan 0.000 0.408 453 N N 0.766 119.403 118.700 -0.104 0.000 2.707 453 N HA -0.144 4.600 4.740 0.007 0.000 0.253 453 N C 0.566 176.004 175.510 -0.120 0.000 0.998 453 N CA 0.674 53.672 53.050 -0.087 0.000 0.751 453 N CB -0.884 37.579 38.487 -0.040 0.000 0.920 453 N HN 0.406 nan 8.380 nan 0.000 0.539 454 V N -3.172 116.595 119.914 -0.246 0.000 2.439 454 V HA -0.235 3.890 4.120 0.007 0.000 0.253 454 V C 1.730 177.664 176.094 -0.266 0.000 1.074 454 V CA 1.996 64.092 62.300 -0.340 0.000 1.076 454 V CB -0.845 30.624 31.823 -0.589 0.000 0.664 454 V HN 0.230 nan 8.190 nan 0.000 0.461 455 F N 1.091 121.025 119.950 -0.027 0.000 2.727 455 F HA 0.451 4.983 4.527 0.007 0.000 0.302 455 F C 1.504 177.294 175.800 -0.018 0.000 1.097 455 F CA -0.480 57.507 58.000 -0.022 0.000 1.330 455 F CB -0.996 37.990 39.000 -0.024 0.000 1.084 455 F HN 0.232 nan 8.300 nan 0.000 0.578 456 N N -0.404 118.366 118.700 0.118 0.000 2.857 456 N HA -0.203 4.541 4.740 0.007 0.000 0.242 456 N C 0.270 175.822 175.510 0.069 0.000 0.983 456 N CA 1.174 54.266 53.050 0.070 0.000 0.934 456 N CB -1.424 37.099 38.487 0.060 0.000 1.115 456 N HN 0.171 nan 8.380 nan 0.000 0.593 457 T N 2.434 117.048 114.554 0.100 0.000 2.830 457 T HA -0.114 4.240 4.350 0.007 0.000 0.282 457 T C 0.433 175.157 174.700 0.040 0.000 1.024 457 T CA 0.500 62.642 62.100 0.069 0.000 1.144 457 T CB 0.376 69.294 68.868 0.084 0.000 1.035 457 T HN -0.003 nan 8.240 nan 0.000 0.507 458 E N 2.595 122.812 120.200 0.027 0.000 2.366 458 E HA 0.135 4.490 4.350 0.007 0.000 0.266 458 E C 0.964 177.573 176.600 0.014 0.000 1.015 458 E CA 0.029 56.440 56.400 0.017 0.000 0.906 458 E CB 0.924 30.631 29.700 0.012 0.000 0.979 458 E HN 0.558 nan 8.360 nan 0.000 0.443 459 V N 1.243 121.163 119.914 0.010 0.000 3.392 459 V HA 0.058 4.182 4.120 0.007 0.000 0.294 459 V C 1.659 177.754 176.094 0.003 0.000 1.561 459 V CA -0.309 61.995 62.300 0.006 0.000 1.056 459 V CB 0.185 32.010 31.823 0.004 0.000 0.882 459 V HN 0.490 nan 8.190 nan 0.000 0.440 460 R N 4.015 124.517 120.500 0.003 0.000 2.081 460 R HA -0.164 4.180 4.340 0.007 0.000 0.235 460 R C 1.583 177.882 176.300 -0.001 0.000 1.131 460 R CA 2.597 58.699 56.100 0.002 0.000 0.960 460 R CB -1.515 28.788 30.300 0.003 0.000 0.856 460 R HN 0.764 nan 8.270 nan 0.000 0.436 461 N N 0.977 119.676 118.700 -0.002 0.000 2.409 461 N HA -0.019 4.726 4.740 0.007 0.000 0.179 461 N C 0.787 176.291 175.510 -0.010 0.000 1.032 461 N CA 0.167 53.214 53.050 -0.005 0.000 0.898 461 N CB -0.241 38.244 38.487 -0.003 0.000 0.971 461 N HN 0.156 nan 8.380 nan 0.000 0.441 462 L N 1.190 122.409 121.223 -0.007 0.000 2.498 462 L HA -0.038 4.306 4.340 0.007 0.000 0.293 462 L C 0.865 177.719 176.870 -0.027 0.000 1.271 462 L CA -0.216 54.618 54.840 -0.011 0.000 0.831 462 L CB -0.033 42.025 42.059 -0.002 0.000 1.091 462 L HN 0.340 nan 8.230 nan 0.000 0.535 463 S N 0.190 115.869 115.700 -0.036 0.000 2.592 463 S HA 0.122 4.596 4.470 0.007 0.000 0.271 463 S C 0.698 175.229 174.600 -0.116 0.000 1.326 463 S CA -0.771 57.385 58.200 -0.074 0.000 1.024 463 S CB 1.553 64.714 63.200 -0.066 0.000 0.921 463 S HN 0.552 nan 8.310 nan 0.000 0.527 464 K N 1.505 121.763 120.400 -0.236 0.000 2.152 464 K HA -0.058 4.266 4.320 0.007 0.000 0.206 464 K C 1.616 177.926 176.600 -0.483 0.000 1.048 464 K CA 1.608 57.640 56.287 -0.425 0.000 0.933 464 K CB -0.974 31.024 32.500 -0.836 0.000 0.721 464 K HN 0.587 nan 8.250 nan 0.000 0.447 465 V N 0.257 119.949 119.914 -0.370 0.000 2.255 465 V HA -0.175 3.949 4.120 0.007 0.000 0.243 465 V C 1.752 177.877 176.094 0.051 0.000 1.038 465 V CA 2.029 64.264 62.300 -0.109 0.000 1.008 465 V CB -0.486 31.324 31.823 -0.021 0.000 0.645 465 V HN 0.300 nan 8.190 nan 0.000 0.449 466 E N 0.089 120.300 120.200 0.018 0.000 2.427 466 E HA -0.146 4.208 4.350 0.007 0.000 0.196 466 E C 2.126 178.755 176.600 0.049 0.000 1.028 466 E CA 0.443 56.867 56.400 0.041 0.000 0.864 466 E CB -0.144 29.567 29.700 0.019 0.000 0.813 466 E HN 0.574 nan 8.360 nan 0.000 0.514 467 R N 0.604 121.136 120.500 0.053 0.000 2.307 467 R HA 0.109 4.454 4.340 0.007 0.000 0.199 467 R C 1.758 178.090 176.300 0.053 0.000 1.000 467 R CA 0.995 57.121 56.100 0.044 0.000 1.023 467 R CB -0.128 30.191 30.300 0.032 0.000 0.908 467 R HN 0.067 nan 8.270 nan 0.000 0.473 468 A N 1.080 123.978 122.820 0.129 0.000 1.978 468 A HA -0.116 4.208 4.320 0.007 0.000 0.220 468 A C 1.147 178.756 177.584 0.041 0.000 1.170 468 A CA 1.530 53.642 52.037 0.124 0.000 0.636 468 A CB -0.288 18.882 19.000 0.284 0.000 0.810 468 A HN 0.602 nan 8.150 nan 0.000 0.448 469 N N -1.476 117.250 118.700 0.043 0.000 2.305 469 N HA 0.328 5.072 4.740 0.007 0.000 0.248 469 N C 1.122 176.644 175.510 0.019 0.000 1.290 469 N CA 0.618 53.682 53.050 0.023 0.000 0.873 469 N CB 0.724 39.230 38.487 0.031 0.000 1.261 469 N HN 0.377 nan 8.380 nan 0.000 0.504 470 A N 0.850 123.681 122.820 0.017 0.000 1.829 470 A HA -0.178 4.146 4.320 0.007 0.000 0.216 470 A C 2.314 179.914 177.584 0.026 0.000 1.207 470 A CA 1.419 53.468 52.037 0.020 0.000 0.622 470 A CB -1.017 17.992 19.000 0.015 0.000 0.846 470 A HN 0.441 nan 8.150 nan 0.000 0.447 471 C N -0.291 119.019 119.300 0.016 0.000 2.410 471 C HA -0.076 4.389 4.460 0.007 0.000 0.281 471 C C 2.674 177.682 174.990 0.030 0.000 1.318 471 C CA 1.098 60.132 59.018 0.026 0.000 1.776 471 C CB -1.599 26.131 27.740 -0.017 0.000 1.942 471 C HN 0.614 nan 8.230 nan 0.000 0.508 472 N N 0.299 119.004 118.700 0.008 0.000 2.250 472 N HA -0.083 4.661 4.740 0.007 0.000 0.181 472 N C 2.024 177.551 175.510 0.028 0.000 1.017 472 N CA 1.210 54.263 53.050 0.006 0.000 0.866 472 N CB -0.473 38.009 38.487 -0.009 0.000 0.985 472 N HN 0.466 nan 8.380 nan 0.000 0.429 473 S N 0.565 116.284 115.700 0.031 0.000 2.359 473 S HA -0.094 4.380 4.470 0.007 0.000 0.224 473 S C 2.122 176.748 174.600 0.045 0.000 1.035 473 S CA 1.151 59.370 58.200 0.033 0.000 1.018 473 S CB -0.354 62.863 63.200 0.029 0.000 0.876 473 S HN 0.051 nan 8.310 nan 0.000 0.448 474 V N 2.578 122.531 119.914 0.065 0.000 2.220 474 V HA -0.246 3.878 4.120 0.007 0.000 0.250 474 V C 2.311 178.466 176.094 0.102 0.000 1.056 474 V CA 2.389 64.739 62.300 0.083 0.000 1.016 474 V CB -0.783 31.140 31.823 0.167 0.000 0.639 474 V HN 0.563 nan 8.190 nan 0.000 0.446 475 I N -0.571 120.099 120.570 0.167 0.000 2.236 475 I HA -0.359 3.815 4.170 0.007 0.000 0.249 475 I C 2.714 178.881 176.117 0.083 0.000 1.102 475 I CA 1.989 63.387 61.300 0.163 0.000 1.365 475 I CB -0.487 37.570 38.000 0.094 0.000 1.051 475 I HN 0.255 nan 8.210 nan 0.000 0.420 476 R N 0.436 120.970 120.500 0.057 0.000 2.115 476 R HA -0.172 4.172 4.340 0.007 0.000 0.230 476 R C 2.424 178.747 176.300 0.039 0.000 1.111 476 R CA 1.086 57.213 56.100 0.045 0.000 0.976 476 R CB 0.063 30.384 30.300 0.034 0.000 0.870 476 R HN 0.341 nan 8.270 nan 0.000 0.445 477 Q N 0.288 120.105 119.800 0.029 0.000 2.050 477 Q HA -0.178 4.166 4.340 0.007 0.000 0.202 477 Q C 2.050 178.051 176.000 0.003 0.000 0.980 477 Q CA 1.081 56.889 55.803 0.009 0.000 0.840 477 Q CB -0.564 28.168 28.738 -0.010 0.000 0.898 477 Q HN 0.267 nan 8.270 nan 0.000 0.424 478 L N -0.698 120.526 121.223 0.002 0.000 2.187 478 L HA -0.060 4.285 4.340 0.007 0.000 0.213 478 L C 0.452 177.344 176.870 0.037 0.000 1.100 478 L CA 1.298 56.136 54.840 -0.004 0.000 0.765 478 L CB 0.179 42.241 42.059 0.005 0.000 0.904 478 L HN 0.108 nan 8.230 nan 0.000 0.437 479 M N -0.646 118.991 119.600 0.061 0.000 2.421 479 M HA 0.262 4.746 4.480 0.007 0.000 0.287 479 M C -0.837 175.505 176.300 0.070 0.000 1.183 479 M CA -0.503 54.847 55.300 0.083 0.000 0.916 479 M CB 2.016 34.711 32.600 0.160 0.000 1.701 479 M HN -0.176 nan 8.290 nan 0.000 0.470 480 K N 2.727 123.161 120.400 0.058 0.000 2.263 480 K HA 0.307 4.631 4.320 0.007 0.000 0.272 480 K C -0.470 176.161 176.600 0.052 0.000 1.033 480 K CA -0.370 55.947 56.287 0.050 0.000 0.884 480 K CB 1.339 33.864 32.500 0.042 0.000 1.107 480 K HN 0.676 nan 8.250 nan 0.000 0.460 481 K N 4.741 125.171 120.400 0.049 0.000 2.349 481 K HA 0.001 4.325 4.320 0.007 0.000 0.289 481 K C 0.358 176.980 176.600 0.037 0.000 1.064 481 K CA -0.175 56.131 56.287 0.031 0.000 0.947 481 K CB 0.797 33.316 32.500 0.031 0.000 1.007 481 K HN 0.605 nan 8.250 nan 0.000 0.478 482 E N 3.590 123.810 120.200 0.034 0.000 2.014 482 E HA -0.015 4.340 4.350 0.007 0.000 0.190 482 E C 0.301 177.017 176.600 0.194 0.000 0.980 482 E CA 1.110 57.579 56.400 0.114 0.000 0.807 482 E CB -0.112 29.692 29.700 0.174 0.000 0.770 482 E HN 0.599 nan 8.360 nan 0.000 0.451 483 F N -1.415 118.532 119.950 -0.005 0.000 2.741 483 F HA 0.518 5.049 4.527 0.007 0.000 0.313 483 F C -0.929 174.866 175.800 -0.008 0.000 1.153 483 F CA -1.296 56.689 58.000 -0.026 0.000 0.931 483 F CB 1.374 40.326 39.000 -0.080 0.000 1.335 483 F HN -0.214 nan 8.300 nan 0.000 0.460 484 T N 0.688 115.264 114.554 0.038 0.000 2.840 484 T HA 0.610 4.965 4.350 0.007 0.000 0.287 484 T C -0.913 173.778 174.700 -0.015 0.000 0.991 484 T CA -0.705 61.356 62.100 -0.064 0.000 0.964 484 T CB 0.921 69.786 68.868 -0.005 0.000 0.954 484 T HN 0.872 nan 8.240 nan 0.000 0.438 485 L N 3.760 124.885 121.223 -0.164 0.000 2.456 485 L HA 0.272 4.616 4.340 0.007 0.000 0.277 485 L C 0.812 177.664 176.870 -0.030 0.000 1.124 485 L CA -0.679 53.890 54.840 -0.451 0.000 0.880 485 L CB -0.259 41.368 42.059 -0.719 0.000 1.192 485 L HN 0.717 nan 8.230 nan 0.000 0.463 486 E N 2.091 122.427 120.200 0.227 0.000 2.521 486 E HA -0.058 4.297 4.350 0.007 0.000 0.265 486 E C -0.476 176.341 176.600 0.362 0.000 1.291 486 E CA 0.247 56.841 56.400 0.325 0.000 1.092 486 E CB 0.293 30.212 29.700 0.365 0.000 0.992 486 E HN 0.365 nan 8.360 nan 0.000 0.492 487 F N 0.521 120.579 119.950 0.179 0.000 2.385 487 F HA 0.380 4.910 4.527 0.005 0.000 0.336 487 F C -0.288 175.591 175.800 0.131 0.000 1.100 487 F CA -0.322 57.763 58.000 0.142 0.000 1.116 487 F CB 0.794 39.852 39.000 0.097 0.000 1.166 487 F HN 0.315 nan 8.300 nan 0.000 0.511 488 S N 5.359 120.795 115.700 -0.441 0.000 2.547 488 S HA 0.429 4.903 4.470 0.007 0.000 0.281 488 S C 0.349 174.716 174.600 -0.389 0.000 1.118 488 S CA -1.030 57.054 58.200 -0.193 0.000 0.947 488 S CB 2.040 65.158 63.200 -0.138 0.000 1.053 488 S HN 0.884 nan 8.310 nan 0.000 0.482 489 R N 1.482 121.971 120.500 -0.018 0.000 2.170 489 R HA -0.112 4.232 4.340 0.007 0.000 0.242 489 R C 1.348 177.614 176.300 -0.057 0.000 1.145 489 R CA 1.932 58.063 56.100 0.052 0.000 0.984 489 R CB -0.426 29.958 30.300 0.140 0.000 0.869 489 R HN 0.896 nan 8.270 nan 0.000 0.455 490 D N -0.024 120.320 120.400 -0.094 0.000 2.363 490 D HA -0.157 4.487 4.640 0.007 0.000 0.226 490 D C 1.470 177.707 176.300 -0.106 0.000 1.020 490 D CA 0.614 54.562 54.000 -0.086 0.000 0.892 490 D CB 0.054 40.803 40.800 -0.086 0.000 0.900 490 D HN 0.323 nan 8.370 nan 0.000 0.531 491 R N 0.857 121.253 120.500 -0.174 0.000 2.526 491 R HA 0.037 4.381 4.340 0.007 0.000 0.346 491 R C -0.096 176.077 176.300 -0.212 0.000 0.926 491 R CA -0.380 55.627 56.100 -0.155 0.000 1.147 491 R CB 0.171 30.395 30.300 -0.127 0.000 1.629 491 R HN -0.243 nan 8.270 nan 0.000 0.516 492 K N 1.965 122.151 120.400 -0.357 0.000 3.213 492 K HA -0.217 4.107 4.320 0.007 0.000 0.266 492 K C -0.953 175.515 176.600 -0.219 0.000 0.911 492 K CA 1.228 57.322 56.287 -0.322 0.000 0.684 492 K CB -1.415 31.099 32.500 0.024 0.000 1.402 492 K HN 0.629 nan 8.250 nan 0.000 0.465 493 S N -1.468 113.970 115.700 -0.437 0.000 2.636 493 S HA 0.759 5.233 4.470 0.007 0.000 0.268 493 S C -0.685 173.890 174.600 -0.043 0.000 1.159 493 S CA -0.951 57.206 58.200 -0.071 0.000 0.815 493 S CB 2.249 65.442 63.200 -0.012 0.000 1.130 493 S HN 0.373 nan 8.310 nan 0.000 0.471 494 M N -0.061 119.600 119.600 0.102 0.000 2.779 494 M HA 0.913 5.398 4.480 0.007 0.000 0.277 494 M C -1.280 175.064 176.300 0.074 0.000 1.284 494 M CA -0.636 54.739 55.300 0.124 0.000 0.801 494 M CB 1.832 34.559 32.600 0.213 0.000 1.712 494 M HN 1.245 nan 8.290 nan 0.000 0.453 495 S N -0.343 115.378 115.700 0.036 0.000 2.615 495 S HA 0.835 5.309 4.470 0.007 0.000 0.269 495 S C -1.583 172.972 174.600 -0.075 0.000 1.161 495 S CA -0.797 57.395 58.200 -0.013 0.000 0.817 495 S CB 1.909 65.087 63.200 -0.036 0.000 1.131 495 S HN 0.787 nan 8.310 nan 0.000 0.467 496 V N 2.008 121.852 119.914 -0.116 0.000 2.569 496 V HA 0.426 4.550 4.120 0.007 0.000 0.301 496 V C -1.646 174.241 176.094 -0.344 0.000 1.044 496 V CA -0.581 61.609 62.300 -0.185 0.000 0.874 496 V CB 1.505 33.307 31.823 -0.034 0.000 1.002 496 V HN 0.904 nan 8.190 nan 0.000 0.424 497 Y N 4.705 124.586 120.300 -0.698 0.000 2.359 497 Y HA 0.547 5.101 4.550 0.007 0.000 0.334 497 Y C 0.166 175.767 175.900 -0.499 0.000 1.058 497 Y CA -0.224 57.435 58.100 -0.735 0.000 1.244 497 Y CB 0.822 38.498 38.460 -1.305 0.000 1.187 497 Y HN 0.704 nan 8.280 nan 0.000 0.510 498 C N 3.426 122.510 119.300 -0.361 0.000 2.889 498 C HA 0.786 5.251 4.460 0.007 0.000 0.307 498 C C -0.623 174.309 174.990 -0.098 0.000 1.251 498 C CA -0.952 57.974 59.018 -0.153 0.000 1.593 498 C CB 1.351 28.992 27.740 -0.165 0.000 2.104 498 C HN 0.878 nan 8.230 nan 0.000 0.476 499 S N 1.233 116.941 115.700 0.012 0.000 2.526 499 S HA 0.723 5.197 4.470 0.007 0.000 0.293 499 S C -3.121 171.493 174.600 0.023 0.000 1.092 499 S CA -1.129 57.088 58.200 0.028 0.000 0.980 499 S CB 1.613 64.861 63.200 0.080 0.000 1.048 499 S HN 0.656 nan 8.310 nan 0.000 0.483 500 P HA 0.184 nan 4.420 nan 0.000 0.264 500 P C -0.061 177.250 177.300 0.018 0.000 1.193 500 P CA 0.147 63.257 63.100 0.018 0.000 0.763 500 P CB 0.231 31.936 31.700 0.008 0.000 0.810 501 A N 4.286 127.116 122.820 0.016 0.000 2.425 501 A HA 0.130 4.455 4.320 0.007 0.000 0.242 501 A C 0.724 178.310 177.584 0.002 0.000 1.077 501 A CA -0.227 51.815 52.037 0.009 0.000 0.781 501 A CB -0.416 18.586 19.000 0.003 0.000 1.020 501 A HN 0.622 nan 8.150 nan 0.000 0.494 502 K N -0.578 119.823 120.400 0.002 0.000 3.096 502 K HA -0.141 4.183 4.320 0.007 0.000 0.266 502 K C -0.266 176.334 176.600 -0.000 0.000 1.043 502 K CA 1.010 57.296 56.287 -0.002 0.000 0.758 502 K CB -2.231 30.265 32.500 -0.008 0.000 1.260 502 K HN 1.173 nan 8.250 nan 0.000 0.481 503 S N -1.624 114.078 115.700 0.004 0.000 2.620 503 S HA 0.332 4.806 4.470 0.007 0.000 0.244 503 S C 0.692 175.296 174.600 0.007 0.000 1.192 503 S CA -0.220 57.983 58.200 0.004 0.000 1.148 503 S CB 1.719 64.922 63.200 0.005 0.000 1.106 503 S HN 0.243 nan 8.310 nan 0.000 0.474 504 S N 3.060 118.763 115.700 0.005 0.000 2.406 504 S HA 0.075 4.550 4.470 0.007 0.000 0.224 504 S C 1.497 176.099 174.600 0.004 0.000 1.030 504 S CA -0.122 58.081 58.200 0.005 0.000 0.958 504 S CB -0.262 62.940 63.200 0.002 0.000 0.811 504 S HN 0.695 nan 8.310 nan 0.000 0.489 505 R N 0.758 121.259 120.500 0.003 0.000 2.316 505 R HA 0.488 4.833 4.340 0.007 0.000 0.201 505 R C 0.972 177.274 176.300 0.003 0.000 0.888 505 R CA 0.418 56.519 56.100 0.002 0.000 1.041 505 R CB 0.102 30.402 30.300 -0.000 0.000 1.115 505 R HN 0.435 nan 8.270 nan 0.000 0.559 506 A N 0.803 123.626 122.820 0.004 0.000 2.366 506 A HA 0.447 4.771 4.320 0.007 0.000 0.250 506 A C 1.109 178.699 177.584 0.009 0.000 1.099 506 A CA 0.529 52.569 52.037 0.005 0.000 0.794 506 A CB 0.328 19.330 19.000 0.003 0.000 1.056 506 A HN 0.298 nan 8.150 nan 0.000 0.499 507 A N -0.041 122.784 122.820 0.008 0.000 1.920 507 A HA 0.389 4.713 4.320 0.007 0.000 0.209 507 A C 0.848 178.440 177.584 0.014 0.000 1.229 507 A CA 0.986 53.031 52.037 0.013 0.000 0.671 507 A CB -0.820 18.186 19.000 0.009 0.000 0.886 507 A HN 0.934 nan 8.150 nan 0.000 0.461 508 V N -0.674 119.242 119.914 0.004 0.000 2.715 508 V HA 0.531 4.656 4.120 0.007 0.000 0.299 508 V C 1.382 177.470 176.094 -0.009 0.000 1.054 508 V CA 0.605 62.902 62.300 -0.006 0.000 1.077 508 V CB 0.412 32.229 31.823 -0.009 0.000 0.972 508 V HN 1.124 nan 8.190 nan 0.000 0.484 509 G N 3.059 111.845 108.800 -0.024 0.000 2.480 509 G HA2 -0.180 3.784 3.960 0.007 0.000 0.193 509 G HA3 -0.180 3.784 3.960 0.007 0.000 0.193 509 G C 0.110 174.975 174.900 -0.058 0.000 1.004 509 G CA -0.081 45.002 45.100 -0.028 0.000 0.696 509 G HN 0.649 nan 8.290 nan 0.000 0.478 510 N N 1.426 120.083 118.700 -0.073 0.000 2.482 510 N HA 0.516 5.260 4.740 0.007 0.000 0.260 510 N C -0.220 175.096 175.510 -0.323 0.000 1.236 510 N CA 0.682 53.632 53.050 -0.167 0.000 0.938 510 N CB 0.427 38.869 38.487 -0.074 0.000 1.128 510 N HN 0.609 nan 8.380 nan 0.000 0.448 511 K N 0.298 120.367 120.400 -0.552 0.000 2.610 511 K HA 0.362 4.686 4.320 0.007 0.000 0.278 511 K C -1.639 174.370 176.600 -0.986 0.000 0.964 511 K CA -0.753 55.142 56.287 -0.654 0.000 0.859 511 K CB 1.268 33.496 32.500 -0.453 0.000 1.434 511 K HN 0.311 nan 8.250 nan 0.000 0.410 512 M N 1.397 120.507 119.600 -0.818 0.000 2.537 512 M HA 0.504 4.988 4.480 0.007 0.000 0.324 512 M C -1.235 174.687 176.300 -0.631 0.000 1.187 512 M CA -0.796 54.064 55.300 -0.734 0.000 0.993 512 M CB 0.925 33.276 32.600 -0.415 0.000 1.666 512 M HN 0.425 nan 8.290 nan 0.000 0.461 513 F N 1.273 121.134 119.950 -0.147 0.000 2.460 513 F HA 0.579 5.110 4.527 0.007 0.000 0.341 513 F C -0.326 175.424 175.800 -0.083 0.000 1.130 513 F CA -1.089 56.846 58.000 -0.109 0.000 0.962 513 F CB 1.035 39.974 39.000 -0.101 0.000 1.171 513 F HN 0.144 nan 8.300 nan 0.000 0.436 514 V N 3.511 123.491 119.914 0.109 0.000 2.732 514 V HA 0.727 4.851 4.120 0.007 0.000 0.310 514 V C -0.431 175.685 176.094 0.037 0.000 1.053 514 V CA -0.992 61.342 62.300 0.057 0.000 0.957 514 V CB 2.137 33.984 31.823 0.040 0.000 1.018 514 V HN 0.781 nan 8.190 nan 0.000 0.452 515 K N 1.543 121.971 120.400 0.046 0.000 2.568 515 K HA 0.865 5.189 4.320 0.007 0.000 0.273 515 K C -0.535 176.112 176.600 0.079 0.000 0.951 515 K CA -0.216 56.094 56.287 0.038 0.000 0.854 515 K CB 2.351 34.868 32.500 0.029 0.000 1.424 515 K HN 1.295 nan 8.250 nan 0.000 0.427 516 G N 0.286 109.135 108.800 0.081 0.000 2.362 516 G HA2 0.380 4.344 3.960 0.007 0.000 0.288 516 G HA3 0.380 4.344 3.960 0.007 0.000 0.288 516 G C -1.238 173.726 174.900 0.106 0.000 1.305 516 G CA -0.563 44.612 45.100 0.125 0.000 0.910 516 G HN 0.968 nan 8.290 nan 0.000 0.518 517 A N 0.816 123.710 122.820 0.124 0.000 2.581 517 A HA 0.441 4.765 4.320 0.007 0.000 0.257 517 A C -0.426 177.211 177.584 0.088 0.000 1.022 517 A CA 1.231 53.331 52.037 0.105 0.000 0.812 517 A CB -0.365 18.697 19.000 0.103 0.000 0.918 517 A HN 0.444 nan 8.150 nan 0.000 0.516 518 P HA -0.293 nan 4.420 nan 0.000 0.213 518 P C 1.569 178.920 177.300 0.084 0.000 1.176 518 P CA 1.836 64.998 63.100 0.104 0.000 0.919 518 P CB 0.005 31.768 31.700 0.105 0.000 0.791 519 E N -0.314 119.923 120.200 0.062 0.000 2.082 519 E HA -0.266 4.089 4.350 0.007 0.000 0.215 519 E C 2.271 178.895 176.600 0.039 0.000 1.048 519 E CA 2.420 58.844 56.400 0.041 0.000 0.869 519 E CB -2.070 27.651 29.700 0.035 0.000 0.773 519 E HN 0.296 nan 8.360 nan 0.000 0.466 520 G N 1.237 110.061 108.800 0.040 0.000 2.459 520 G HA2 -0.213 3.752 3.960 0.007 0.000 0.217 520 G HA3 -0.213 3.752 3.960 0.007 0.000 0.217 520 G C 1.950 176.875 174.900 0.042 0.000 1.183 520 G CA 1.749 46.867 45.100 0.031 0.000 0.776 520 G HN 0.248 nan 8.290 nan 0.000 0.552 521 V N 1.130 121.080 119.914 0.061 0.000 2.343 521 V HA -0.150 3.974 4.120 0.007 0.000 0.247 521 V C 2.808 178.968 176.094 0.109 0.000 1.051 521 V CA 1.510 63.858 62.300 0.080 0.000 1.036 521 V CB -0.373 31.502 31.823 0.087 0.000 0.654 521 V HN 0.399 nan 8.190 nan 0.000 0.451 522 I N 0.144 120.788 120.570 0.123 0.000 2.099 522 I HA -0.276 3.899 4.170 0.007 0.000 0.239 522 I C 2.262 178.412 176.117 0.055 0.000 1.066 522 I CA 1.858 63.227 61.300 0.115 0.000 1.324 522 I CB -0.646 37.379 38.000 0.042 0.000 1.037 522 I HN 0.298 nan 8.210 nan 0.000 0.401 523 D N 0.845 121.262 120.400 0.029 0.000 2.280 523 D HA -0.178 4.467 4.640 0.007 0.000 0.206 523 D C 1.613 177.924 176.300 0.018 0.000 0.988 523 D CA 1.116 55.122 54.000 0.010 0.000 0.886 523 D CB -0.246 40.558 40.800 0.006 0.000 0.914 523 D HN 0.398 nan 8.370 nan 0.000 0.473 524 R N -0.520 120.004 120.500 0.040 0.000 2.515 524 R HA 0.229 4.573 4.340 0.007 0.000 0.294 524 R C -0.373 175.968 176.300 0.068 0.000 1.021 524 R CA -0.153 55.974 56.100 0.046 0.000 1.081 524 R CB 0.203 30.533 30.300 0.050 0.000 1.263 524 R HN 0.050 nan 8.270 nan 0.000 0.557 525 C N 0.990 120.329 119.300 0.065 0.000 2.319 525 C HA 0.335 4.799 4.460 0.007 0.000 0.323 525 C C 1.052 176.043 174.990 0.002 0.000 1.277 525 C CA -0.888 58.185 59.018 0.092 0.000 1.517 525 C CB 0.999 28.831 27.740 0.153 0.000 2.206 525 C HN 0.471 nan 8.230 nan 0.000 0.486 526 N N 0.743 119.412 118.700 -0.051 0.000 2.254 526 N HA 0.140 4.884 4.740 0.007 0.000 0.190 526 N C -0.744 174.319 175.510 -0.745 0.000 1.107 526 N CA 0.573 53.367 53.050 -0.426 0.000 0.869 526 N CB 0.361 38.479 38.487 -0.615 0.000 0.983 526 N HN 0.738 nan 8.380 nan 0.000 0.487 527 Y N -1.074 119.255 120.300 0.048 0.000 2.581 527 Y HA 0.569 5.123 4.550 0.008 0.000 0.345 527 Y C -0.201 175.752 175.900 0.088 0.000 1.036 527 Y CA -1.129 57.002 58.100 0.053 0.000 1.042 527 Y CB 1.607 40.094 38.460 0.046 0.000 1.289 527 Y HN -0.417 nan 8.280 nan 0.000 0.471 528 V N 1.598 121.655 119.914 0.238 0.000 2.769 528 V HA 0.543 4.667 4.120 0.007 0.000 0.312 528 V C -0.627 175.584 176.094 0.195 0.000 1.061 528 V CA -1.134 61.304 62.300 0.230 0.000 0.931 528 V CB 2.024 33.938 31.823 0.153 0.000 1.010 528 V HN 0.686 nan 8.190 nan 0.000 0.433 529 R N 2.252 122.865 120.500 0.187 0.000 2.297 529 R HA 0.628 4.972 4.340 0.007 0.000 0.308 529 R C -1.252 175.118 176.300 0.116 0.000 1.029 529 R CA -0.174 55.998 56.100 0.121 0.000 0.929 529 R CB 1.335 31.679 30.300 0.073 0.000 1.046 529 R HN 0.521 nan 8.270 nan 0.000 0.461 530 V N 6.342 126.313 119.914 0.094 0.000 2.276 530 V HA 0.369 4.493 4.120 0.007 0.000 0.268 530 V C 1.076 177.220 176.094 0.084 0.000 1.032 530 V CA 0.365 62.719 62.300 0.090 0.000 0.810 530 V CB 0.319 32.189 31.823 0.079 0.000 1.060 530 V HN 1.143 nan 8.190 nan 0.000 0.446 531 G N 5.003 113.857 108.800 0.090 0.000 5.206 531 G HA2 -0.367 3.598 3.960 0.007 0.000 0.328 531 G HA3 -0.367 3.598 3.960 0.007 0.000 0.328 531 G C 0.860 175.799 174.900 0.064 0.000 1.382 531 G CA 1.222 46.376 45.100 0.089 0.000 0.994 531 G HN 0.614 nan 8.290 nan 0.000 0.800 532 T N 0.665 115.253 114.554 0.057 0.000 3.029 532 T HA 0.309 4.664 4.350 0.007 0.000 0.256 532 T C 1.340 176.064 174.700 0.039 0.000 0.914 532 T CA 1.591 63.717 62.100 0.044 0.000 0.880 532 T CB 0.190 69.082 68.868 0.041 0.000 1.246 532 T HN 1.229 nan 8.240 nan 0.000 0.523 533 T N 0.870 115.452 114.554 0.046 0.000 2.715 533 T HA 0.525 4.879 4.350 0.007 0.000 0.320 533 T C 0.008 174.738 174.700 0.049 0.000 1.046 533 T CA -0.541 61.584 62.100 0.043 0.000 0.983 533 T CB 1.048 69.945 68.868 0.048 0.000 1.183 533 T HN 0.169 nan 8.240 nan 0.000 0.522 534 R N -0.176 120.357 120.500 0.055 0.000 2.522 534 R HA 0.523 4.867 4.340 0.007 0.000 0.273 534 R C -1.710 174.657 176.300 0.111 0.000 1.133 534 R CA -0.668 55.479 56.100 0.078 0.000 0.969 534 R CB 1.950 32.269 30.300 0.031 0.000 1.235 534 R HN 0.830 nan 8.270 nan 0.000 0.433 535 V N 1.097 121.097 119.914 0.144 0.000 3.001 535 V HA 0.763 4.887 4.120 0.007 0.000 0.314 535 V C -2.601 173.595 176.094 0.171 0.000 1.099 535 V CA -2.303 60.082 62.300 0.141 0.000 0.989 535 V CB 1.988 33.862 31.823 0.085 0.000 1.040 535 V HN 0.636 nan 8.190 nan 0.000 0.434 536 P HA 0.200 nan 4.420 nan 0.000 0.270 536 P C -0.656 176.612 177.300 -0.053 0.000 1.223 536 P CA -0.294 62.794 63.100 -0.019 0.000 0.785 536 P CB 0.598 32.265 31.700 -0.054 0.000 0.923 537 M N 2.751 122.272 119.600 -0.131 0.000 2.201 537 M HA 0.194 4.679 4.480 0.007 0.000 0.345 537 M C -0.303 175.940 176.300 -0.095 0.000 1.352 537 M CA 0.243 55.482 55.300 -0.100 0.000 1.218 537 M CB -0.675 31.858 32.600 -0.112 0.000 1.512 537 M HN 0.325 nan 8.290 nan 0.000 0.447 538 T N 1.402 115.911 114.554 -0.075 0.000 2.943 538 T HA 0.627 4.981 4.350 0.007 0.000 0.284 538 T C 1.229 175.887 174.700 -0.071 0.000 1.015 538 T CA -0.515 61.546 62.100 -0.065 0.000 1.042 538 T CB 1.395 70.235 68.868 -0.046 0.000 1.055 538 T HN 0.684 nan 8.240 nan 0.000 0.500 539 G N 1.213 109.977 108.800 -0.061 0.000 2.505 539 G HA2 -0.143 3.821 3.960 0.007 0.000 0.220 539 G HA3 -0.143 3.821 3.960 0.007 0.000 0.220 539 G C -0.945 173.913 174.900 -0.069 0.000 1.145 539 G CA 0.805 45.868 45.100 -0.061 0.000 0.761 539 G HN 0.635 nan 8.290 nan 0.000 0.571 540 P HA -0.025 nan 4.420 nan 0.000 0.216 540 P C 2.077 179.314 177.300 -0.104 0.000 1.153 540 P CA 0.761 63.822 63.100 -0.066 0.000 0.848 540 P CB -0.075 31.600 31.700 -0.041 0.000 0.787 541 V N -0.234 119.612 119.914 -0.112 0.000 2.667 541 V HA -0.166 3.959 4.120 0.007 0.000 0.252 541 V C 2.406 178.390 176.094 -0.184 0.000 1.065 541 V CA 1.397 63.607 62.300 -0.150 0.000 1.083 541 V CB -0.826 30.922 31.823 -0.124 0.000 0.692 541 V HN 0.121 nan 8.190 nan 0.000 0.468 542 K N 0.228 120.534 120.400 -0.158 0.000 1.967 542 K HA -0.149 4.175 4.320 0.007 0.000 0.212 542 K C 2.235 178.734 176.600 -0.168 0.000 1.044 542 K CA 1.442 57.625 56.287 -0.173 0.000 0.942 542 K CB -0.239 32.187 32.500 -0.124 0.000 0.726 542 K HN 0.345 nan 8.250 nan 0.000 0.440 543 E N 1.249 121.373 120.200 -0.127 0.000 2.130 543 E HA -0.214 4.140 4.350 0.007 0.000 0.196 543 E C 1.903 178.418 176.600 -0.143 0.000 0.998 543 E CA 0.864 57.195 56.400 -0.114 0.000 0.806 543 E CB -0.165 29.484 29.700 -0.085 0.000 0.738 543 E HN 0.156 nan 8.360 nan 0.000 0.459 544 K N 1.254 121.555 120.400 -0.166 0.000 2.001 544 K HA -0.133 4.191 4.320 0.007 0.000 0.214 544 K C 2.257 178.698 176.600 -0.266 0.000 1.050 544 K CA 1.110 57.273 56.287 -0.207 0.000 0.934 544 K CB -0.758 31.607 32.500 -0.225 0.000 0.718 544 K HN 0.156 nan 8.250 nan 0.000 0.443 545 I N 1.075 121.481 120.570 -0.274 0.000 2.069 545 I HA -0.368 3.806 4.170 0.007 0.000 0.237 545 I C 2.492 178.497 176.117 -0.187 0.000 1.053 545 I CA 1.331 62.471 61.300 -0.267 0.000 1.311 545 I CB -0.375 37.386 38.000 -0.399 0.000 1.030 545 I HN 0.145 nan 8.210 nan 0.000 0.398 546 L N -0.131 120.996 121.223 -0.160 0.000 1.997 546 L HA -0.330 4.014 4.340 0.007 0.000 0.216 546 L C 2.745 179.552 176.870 -0.106 0.000 1.074 546 L CA 1.592 56.373 54.840 -0.098 0.000 0.763 546 L CB -0.782 41.226 42.059 -0.084 0.000 0.890 546 L HN 0.255 nan 8.230 nan 0.000 0.434 547 S N -0.478 115.141 115.700 -0.136 0.000 2.380 547 S HA -0.231 4.244 4.470 0.007 0.000 0.229 547 S C 1.921 176.422 174.600 -0.165 0.000 1.050 547 S CA 1.898 60.020 58.200 -0.130 0.000 1.100 547 S CB -0.352 62.762 63.200 -0.143 0.000 0.984 547 S HN 0.236 nan 8.310 nan 0.000 0.434 548 V N 1.717 121.443 119.914 -0.314 0.000 2.407 548 V HA -0.182 3.943 4.120 0.007 0.000 0.248 548 V C 2.037 177.891 176.094 -0.400 0.000 1.055 548 V CA 1.667 63.668 62.300 -0.498 0.000 1.049 548 V CB -0.726 30.486 31.823 -1.019 0.000 0.662 548 V HN 0.458 nan 8.190 nan 0.000 0.455 549 I N -0.090 120.370 120.570 -0.183 0.000 2.179 549 I HA -0.282 3.892 4.170 0.007 0.000 0.242 549 I C 2.623 178.789 176.117 0.081 0.000 1.088 549 I CA 1.937 63.245 61.300 0.014 0.000 1.357 549 I CB -0.411 37.629 38.000 0.067 0.000 1.051 549 I HN 0.270 nan 8.210 nan 0.000 0.409 550 K N 0.918 121.336 120.400 0.030 0.000 2.063 550 K HA -0.273 4.051 4.320 0.007 0.000 0.208 550 K C 2.099 178.752 176.600 0.088 0.000 1.048 550 K CA 1.864 58.180 56.287 0.050 0.000 0.928 550 K CB -0.058 32.449 32.500 0.012 0.000 0.713 550 K HN 0.299 nan 8.250 nan 0.000 0.442 551 E N -0.687 119.571 120.200 0.097 0.000 2.046 551 E HA -0.171 4.183 4.350 0.007 0.000 0.190 551 E C 1.612 178.388 176.600 0.294 0.000 0.982 551 E CA 1.011 57.507 56.400 0.160 0.000 0.800 551 E CB -0.103 29.690 29.700 0.154 0.000 0.756 551 E HN 0.381 nan 8.360 nan 0.000 0.449 552 W N 0.302 121.631 121.300 0.048 0.000 2.364 552 W HA 0.018 4.682 4.660 0.006 0.000 0.281 552 W C 1.788 178.340 176.519 0.055 0.000 1.219 552 W CA 1.299 58.684 57.345 0.066 0.000 1.220 552 W CB -0.518 29.013 29.460 0.119 0.000 1.127 552 W HN 0.143 nan 8.180 nan 0.000 0.556 553 G N -1.531 107.435 108.800 0.278 0.000 3.707 553 G HA2 0.283 4.247 3.960 0.007 0.000 0.286 553 G HA3 0.283 4.247 3.960 0.007 0.000 0.286 553 G C 0.625 175.591 174.900 0.110 0.000 1.112 553 G CA 0.716 45.920 45.100 0.173 0.000 0.861 553 G HN 0.193 nan 8.290 nan 0.000 0.534 554 T N -5.089 109.525 114.554 0.099 0.000 3.245 554 T HA 0.227 4.582 4.350 0.007 0.000 0.261 554 T C 1.647 176.374 174.700 0.046 0.000 0.842 554 T CA 0.774 62.911 62.100 0.062 0.000 0.858 554 T CB -0.078 68.822 68.868 0.054 0.000 1.262 554 T HN 0.301 nan 8.240 nan 0.000 0.587 555 G N 2.412 111.246 108.800 0.056 0.000 2.313 555 G HA2 0.216 4.180 3.960 0.007 0.000 0.283 555 G HA3 0.216 4.180 3.960 0.007 0.000 0.283 555 G C 0.705 175.615 174.900 0.017 0.000 1.476 555 G CA 0.134 45.255 45.100 0.035 0.000 1.054 555 G HN 0.500 nan 8.290 nan 0.000 0.550 556 R N 0.265 120.768 120.500 0.007 0.000 2.320 556 R HA 0.208 4.552 4.340 0.007 0.000 0.211 556 R C 0.023 176.317 176.300 -0.011 0.000 0.931 556 R CA 0.877 56.977 56.100 0.000 0.000 1.071 556 R CB -0.019 30.279 30.300 -0.003 0.000 1.025 556 R HN 0.498 nan 8.270 nan 0.000 0.495 557 D N -1.502 118.889 120.400 -0.015 0.000 2.891 557 D HA 0.045 4.689 4.640 0.007 0.000 0.332 557 D C -0.659 175.630 176.300 -0.019 0.000 1.369 557 D CA -0.588 53.387 54.000 -0.042 0.000 0.827 557 D CB -0.135 40.606 40.800 -0.099 0.000 1.141 557 D HN -0.240 nan 8.370 nan 0.000 0.464 558 T N 1.403 115.961 114.554 0.008 0.000 2.709 558 T HA 0.075 4.429 4.350 0.007 0.000 0.269 558 T C 0.104 174.818 174.700 0.024 0.000 1.008 558 T CA 0.537 62.655 62.100 0.029 0.000 1.194 558 T CB -0.010 68.874 68.868 0.026 0.000 0.986 558 T HN 0.256 nan 8.240 nan 0.000 0.508 559 L N 3.154 124.410 121.223 0.055 0.000 2.401 559 L HA 0.533 4.877 4.340 0.007 0.000 0.266 559 L C 0.356 177.279 176.870 0.089 0.000 0.991 559 L CA -1.148 53.724 54.840 0.053 0.000 0.818 559 L CB 2.321 44.402 42.059 0.038 0.000 1.321 559 L HN 0.478 nan 8.230 nan 0.000 0.413 560 R N 1.461 122.003 120.500 0.071 0.000 2.316 560 R HA 0.410 4.754 4.340 0.007 0.000 0.314 560 R C -1.254 175.108 176.300 0.103 0.000 1.069 560 R CA -0.192 55.955 56.100 0.079 0.000 0.959 560 R CB 0.543 30.878 30.300 0.058 0.000 0.987 560 R HN 0.643 nan 8.270 nan 0.000 0.446 561 C N 4.879 124.253 119.300 0.123 0.000 2.454 561 C HA 0.589 5.054 4.460 0.007 0.000 0.336 561 C C -0.943 174.107 174.990 0.099 0.000 1.189 561 C CA -0.843 58.259 59.018 0.140 0.000 1.877 561 C CB 1.180 29.034 27.740 0.190 0.000 2.348 561 C HN 0.670 nan 8.230 nan 0.000 0.508 562 L N 2.413 123.679 121.223 0.071 0.000 2.381 562 L HA 0.651 4.995 4.340 0.007 0.000 0.274 562 L C 0.335 177.205 176.870 0.001 0.000 0.988 562 L CA -0.095 54.771 54.840 0.043 0.000 0.824 562 L CB 1.343 43.418 42.059 0.026 0.000 1.263 562 L HN 0.862 nan 8.230 nan 0.000 0.410 563 A N 4.757 127.592 122.820 0.024 0.000 2.363 563 A HA 0.741 5.065 4.320 0.007 0.000 0.270 563 A C -0.699 176.826 177.584 -0.098 0.000 1.121 563 A CA -0.226 51.810 52.037 -0.001 0.000 0.800 563 A CB 0.173 19.251 19.000 0.130 0.000 1.052 563 A HN 0.646 nan 8.150 nan 0.000 0.493 564 L N 2.294 123.349 121.223 -0.279 0.000 2.316 564 L HA 0.651 4.996 4.340 0.007 0.000 0.280 564 L C 0.394 177.072 176.870 -0.319 0.000 1.006 564 L CA -0.010 54.673 54.840 -0.261 0.000 0.836 564 L CB 1.549 43.441 42.059 -0.279 0.000 1.221 564 L HN 0.852 nan 8.230 nan 0.000 0.418 565 A N 2.051 124.788 122.820 -0.138 0.000 2.437 565 A HA 0.932 5.257 4.320 0.007 0.000 0.288 565 A C -0.609 176.995 177.584 0.033 0.000 1.201 565 A CA -0.563 51.431 52.037 -0.072 0.000 0.795 565 A CB 2.202 21.209 19.000 0.012 0.000 1.359 565 A HN 0.447 nan 8.150 nan 0.000 0.435 566 T N -0.635 113.955 114.554 0.061 0.000 2.956 566 T HA 0.548 4.903 4.350 0.007 0.000 0.312 566 T C -1.185 173.529 174.700 0.023 0.000 1.151 566 T CA -0.559 61.603 62.100 0.103 0.000 1.024 566 T CB 1.169 70.160 68.868 0.205 0.000 1.140 566 T HN 0.709 nan 8.240 nan 0.000 0.473 567 R N 3.146 123.609 120.500 -0.062 0.000 2.247 567 R HA 0.293 4.638 4.340 0.007 0.000 0.329 567 R C 0.212 176.430 176.300 -0.137 0.000 1.014 567 R CA -0.547 55.508 56.100 -0.076 0.000 0.907 567 R CB 0.382 30.627 30.300 -0.092 0.000 1.146 567 R HN 0.664 nan 8.270 nan 0.000 0.499 568 D N 1.478 121.816 120.400 -0.102 0.000 2.149 568 D HA -0.098 4.546 4.640 0.007 0.000 0.198 568 D C 0.046 176.264 176.300 -0.136 0.000 0.990 568 D CA 1.568 55.497 54.000 -0.118 0.000 0.839 568 D CB 0.365 41.092 40.800 -0.121 0.000 0.948 568 D HN 0.393 nan 8.370 nan 0.000 0.460 569 T N 3.181 117.663 114.554 -0.120 0.000 3.378 569 T HA 0.234 4.588 4.350 0.007 0.000 0.359 569 T C -2.450 172.198 174.700 -0.086 0.000 1.815 569 T CA -1.266 60.776 62.100 -0.097 0.000 1.509 569 T CB 1.807 70.634 68.868 -0.070 0.000 1.049 569 T HN 0.037 nan 8.240 nan 0.000 0.705 570 P HA 0.208 nan 4.420 nan 0.000 0.269 570 P C -2.331 174.965 177.300 -0.006 0.000 1.215 570 P CA -1.121 61.895 63.100 -0.139 0.000 0.780 570 P CB 0.078 31.513 31.700 -0.441 0.000 0.898 571 P HA 0.025 nan 4.420 nan 0.000 0.272 571 P C -0.169 177.187 177.300 0.094 0.000 1.248 571 P CA 0.005 63.140 63.100 0.058 0.000 0.799 571 P CB 0.476 32.193 31.700 0.027 0.000 0.997 572 K N 0.833 121.257 120.400 0.040 0.000 2.451 572 K HA 0.000 4.324 4.320 0.007 0.000 0.280 572 K C 1.592 178.176 176.600 -0.026 0.000 1.020 572 K CA 0.061 56.364 56.287 0.027 0.000 1.008 572 K CB 0.477 32.975 32.500 -0.002 0.000 0.917 572 K HN 0.423 nan 8.250 nan 0.000 0.478 573 R N 2.152 122.623 120.500 -0.047 0.000 2.185 573 R HA -0.196 4.148 4.340 0.007 0.000 0.247 573 R C 0.117 176.273 176.300 -0.240 0.000 1.159 573 R CA 1.886 57.840 56.100 -0.244 0.000 0.988 573 R CB 0.189 30.319 30.300 -0.283 0.000 0.871 573 R HN 0.581 nan 8.270 nan 0.000 0.458 574 E N -0.031 120.081 120.200 -0.147 0.000 2.434 574 E HA 0.116 4.470 4.350 0.007 0.000 0.243 574 E C -0.367 176.177 176.600 -0.094 0.000 1.250 574 E CA -0.073 56.250 56.400 -0.128 0.000 1.568 574 E CB 0.797 30.443 29.700 -0.091 0.000 1.435 574 E HN 0.173 nan 8.360 nan 0.000 0.432 575 E N 0.283 120.413 120.200 -0.116 0.000 2.801 575 E HA 0.245 4.600 4.350 0.007 0.000 0.212 575 E C -0.374 176.164 176.600 -0.104 0.000 0.963 575 E CA -0.006 56.352 56.400 -0.070 0.000 1.247 575 E CB 0.466 30.143 29.700 -0.039 0.000 1.076 575 E HN 0.352 nan 8.360 nan 0.000 0.504 576 M N 0.869 120.343 119.600 -0.209 0.000 2.465 576 M HA 0.348 4.832 4.480 0.007 0.000 0.316 576 M C -0.307 175.974 176.300 -0.031 0.000 1.121 576 M CA -0.856 54.268 55.300 -0.293 0.000 0.934 576 M CB 2.957 35.079 32.600 -0.796 0.000 1.692 576 M HN -0.328 nan 8.290 nan 0.000 0.444 577 V N 4.552 124.624 119.914 0.262 0.000 2.304 577 V HA 0.182 4.307 4.120 0.007 0.000 0.262 577 V C 0.688 176.965 176.094 0.304 0.000 1.061 577 V CA -0.230 62.194 62.300 0.207 0.000 0.872 577 V CB 0.063 32.010 31.823 0.206 0.000 1.077 577 V HN 0.791 nan 8.190 nan 0.000 0.480 578 L N 2.392 123.691 121.223 0.126 0.000 2.660 578 L HA 0.212 4.556 4.340 0.007 0.000 0.238 578 L C 0.680 177.702 176.870 0.254 0.000 1.161 578 L CA 0.413 55.354 54.840 0.167 0.000 0.937 578 L CB -0.252 41.710 42.059 -0.162 0.000 1.122 578 L HN 0.602 nan 8.230 nan 0.000 0.435 579 D N -1.056 119.474 120.400 0.217 0.000 2.500 579 D HA 0.052 4.697 4.640 0.007 0.000 0.217 579 D C 0.022 176.377 176.300 0.092 0.000 1.159 579 D CA 0.264 54.351 54.000 0.145 0.000 0.828 579 D CB 1.045 41.887 40.800 0.070 0.000 1.039 579 D HN 0.101 nan 8.370 nan 0.000 0.512 580 D N 0.788 121.241 120.400 0.089 0.000 2.438 580 D HA 0.047 4.691 4.640 0.007 0.000 0.257 580 D C 1.380 177.373 176.300 -0.511 0.000 1.148 580 D CA -0.294 53.641 54.000 -0.109 0.000 0.902 580 D CB 1.079 41.852 40.800 -0.046 0.000 1.062 580 D HN -0.166 nan 8.370 nan 0.000 0.518 581 S N 1.550 116.732 115.700 -0.863 0.000 2.420 581 S HA -0.251 4.223 4.470 0.007 0.000 0.237 581 S C 1.906 175.862 174.600 -1.074 0.000 1.023 581 S CA 1.344 58.456 58.200 -1.814 0.000 0.991 581 S CB -0.478 62.230 63.200 -0.820 0.000 0.792 581 S HN 0.397 nan 8.310 nan 0.000 0.488 582 S N 1.580 116.959 115.700 -0.534 0.000 2.528 582 S HA -0.005 4.469 4.470 0.007 0.000 0.244 582 S C 1.662 176.093 174.600 -0.282 0.000 0.982 582 S CA 0.358 58.370 58.200 -0.314 0.000 0.953 582 S CB -0.460 62.621 63.200 -0.197 0.000 0.754 582 S HN 0.633 nan 8.310 nan 0.000 0.529 583 R N -0.747 119.547 120.500 -0.344 0.000 2.334 583 R HA 0.329 4.674 4.340 0.007 0.000 0.212 583 R C 1.290 177.361 176.300 -0.383 0.000 0.897 583 R CA 0.069 55.968 56.100 -0.334 0.000 1.056 583 R CB -0.176 29.955 30.300 -0.281 0.000 1.046 583 R HN 0.560 nan 8.270 nan 0.000 0.513 584 F N 0.833 120.604 119.950 -0.299 0.000 2.216 584 F HA -0.187 4.344 4.527 0.008 0.000 0.300 584 F C 2.552 178.266 175.800 -0.142 0.000 1.085 584 F CA 0.524 58.430 58.000 -0.158 0.000 1.326 584 F CB -0.171 38.829 39.000 0.001 0.000 1.027 584 F HN 0.022 nan 8.300 nan 0.000 0.497 585 M N 0.978 120.591 119.600 0.022 0.000 2.086 585 M HA -0.216 4.268 4.480 0.007 0.000 0.261 585 M C 2.455 178.751 176.300 -0.008 0.000 1.067 585 M CA 1.884 57.184 55.300 -0.000 0.000 1.116 585 M CB -0.215 32.362 32.600 -0.038 0.000 1.348 585 M HN 0.085 nan 8.290 nan 0.000 0.407 586 E N -0.695 119.456 120.200 -0.081 0.000 2.150 586 E HA -0.211 4.144 4.350 0.007 0.000 0.193 586 E C 1.501 178.158 176.600 0.094 0.000 0.985 586 E CA 1.255 57.638 56.400 -0.028 0.000 0.814 586 E CB -0.862 28.799 29.700 -0.065 0.000 0.752 586 E HN 0.575 nan 8.360 nan 0.000 0.466 587 Y N 1.662 122.030 120.300 0.113 0.000 2.509 587 Y HA 0.084 4.639 4.550 0.009 0.000 0.293 587 Y C 0.932 176.870 175.900 0.063 0.000 1.133 587 Y CA 0.226 58.387 58.100 0.102 0.000 1.283 587 Y CB -0.141 38.399 38.460 0.132 0.000 1.001 587 Y HN 0.095 nan 8.280 nan 0.000 0.555 588 E N 0.131 120.439 120.200 0.180 0.000 2.462 588 E HA 0.152 4.506 4.350 0.007 0.000 0.255 588 E C -0.012 176.638 176.600 0.084 0.000 1.311 588 E CA -0.093 56.371 56.400 0.107 0.000 1.629 588 E CB 0.328 30.079 29.700 0.085 0.000 1.510 588 E HN 0.004 nan 8.360 nan 0.000 0.438 589 T N -0.477 114.134 114.554 0.095 0.000 2.907 589 T HA 0.169 4.523 4.350 0.007 0.000 0.290 589 T C -0.502 174.257 174.700 0.097 0.000 1.066 589 T CA -0.402 61.749 62.100 0.084 0.000 1.012 589 T CB 1.151 70.066 68.868 0.078 0.000 1.184 589 T HN 0.266 nan 8.240 nan 0.000 0.522 590 D N 0.652 121.117 120.400 0.108 0.000 2.723 590 D HA -0.133 4.511 4.640 0.007 0.000 0.236 590 D C -0.341 176.078 176.300 0.198 0.000 1.138 590 D CA 0.665 54.768 54.000 0.171 0.000 0.676 590 D CB -1.468 39.435 40.800 0.173 0.000 1.069 590 D HN 0.449 nan 8.370 nan 0.000 0.430 591 L N -0.702 120.617 121.223 0.160 0.000 2.456 591 L HA 0.489 4.834 4.340 0.007 0.000 0.257 591 L C 1.051 178.051 176.870 0.217 0.000 1.162 591 L CA -0.364 54.564 54.840 0.147 0.000 0.808 591 L CB 1.052 43.177 42.059 0.109 0.000 1.136 591 L HN -0.041 nan 8.230 nan 0.000 0.466 592 T N 1.149 115.805 114.554 0.170 0.000 2.842 592 T HA 0.276 4.631 4.350 0.007 0.000 0.308 592 T C -0.463 174.334 174.700 0.163 0.000 1.041 592 T CA -0.326 61.893 62.100 0.199 0.000 0.964 592 T CB 0.281 69.226 68.868 0.129 0.000 0.972 592 T HN 0.252 nan 8.240 nan 0.000 0.460 593 F N 4.289 124.280 119.950 0.068 0.000 2.602 593 F HA 0.190 4.721 4.527 0.007 0.000 0.385 593 F C 0.810 176.623 175.800 0.021 0.000 1.063 593 F CA 0.324 58.343 58.000 0.033 0.000 1.233 593 F CB 0.521 39.536 39.000 0.025 0.000 1.067 593 F HN 0.340 nan 8.300 nan 0.000 0.564 594 V N 4.775 124.247 119.914 -0.736 0.000 2.743 594 V HA 0.477 4.602 4.120 0.007 0.000 0.237 594 V C 1.072 176.767 176.094 -0.666 0.000 1.113 594 V CA 0.788 62.793 62.300 -0.491 0.000 1.141 594 V CB -0.050 31.583 31.823 -0.316 0.000 0.873 594 V HN 1.015 nan 8.190 nan 0.000 0.486 595 G N -0.859 107.311 108.800 -1.049 0.000 2.489 595 G HA2 0.550 4.515 3.960 0.007 0.000 0.305 595 G HA3 0.550 4.515 3.960 0.007 0.000 0.305 595 G C -2.209 172.249 174.900 -0.737 0.000 1.311 595 G CA -0.157 44.504 45.100 -0.732 0.000 0.813 595 G HN 0.015 nan 8.290 nan 0.000 0.480 596 V N -0.002 119.466 119.914 -0.743 0.000 2.808 596 V HA 0.689 4.813 4.120 0.007 0.000 0.308 596 V C -0.223 175.738 176.094 -0.221 0.000 1.099 596 V CA -0.652 61.321 62.300 -0.544 0.000 0.920 596 V CB 1.702 33.044 31.823 -0.802 0.000 1.014 596 V HN 1.331 nan 8.190 nan 0.000 0.425 597 V N 0.868 120.761 119.914 -0.035 0.000 2.628 597 V HA 1.032 5.157 4.120 0.007 0.000 0.306 597 V C 0.258 176.451 176.094 0.165 0.000 1.045 597 V CA -0.458 61.889 62.300 0.079 0.000 0.905 597 V CB 1.694 33.520 31.823 0.004 0.000 0.997 597 V HN 1.020 nan 8.190 nan 0.000 0.436 598 G N 4.120 113.023 108.800 0.171 0.000 2.437 598 G HA2 0.650 4.614 3.960 0.007 0.000 0.315 598 G HA3 0.650 4.614 3.960 0.007 0.000 0.315 598 G C -0.792 174.124 174.900 0.025 0.000 1.210 598 G CA -0.795 44.377 45.100 0.119 0.000 0.943 598 G HN 0.713 nan 8.290 nan 0.000 0.471 599 M N 1.007 120.628 119.600 0.035 0.000 2.613 599 M HA 0.781 5.265 4.480 0.007 0.000 0.301 599 M C -0.708 175.591 176.300 -0.002 0.000 1.205 599 M CA -0.890 54.418 55.300 0.014 0.000 0.950 599 M CB 2.245 34.864 32.600 0.031 0.000 1.585 599 M HN 0.435 nan 8.290 nan 0.000 0.490 600 L N 0.829 122.044 121.223 -0.013 0.000 2.789 600 L HA 0.279 4.624 4.340 0.007 0.000 0.254 600 L C -2.029 174.818 176.870 -0.039 0.000 0.952 600 L CA -0.460 54.364 54.840 -0.025 0.000 0.942 600 L CB 1.735 43.768 42.059 -0.043 0.000 1.502 600 L HN 0.677 nan 8.230 nan 0.000 0.425 601 D N 5.759 126.135 120.400 -0.040 0.000 2.456 601 D HA 0.411 5.056 4.640 0.007 0.000 0.219 601 D C -2.441 173.819 176.300 -0.066 0.000 1.126 601 D CA -1.844 52.120 54.000 -0.060 0.000 0.890 601 D CB 1.022 41.797 40.800 -0.042 0.000 1.025 601 D HN 0.370 nan 8.370 nan 0.000 0.511 602 P HA 0.223 nan 4.420 nan 0.000 0.272 602 P C -2.672 174.583 177.300 -0.075 0.000 1.230 602 P CA -1.336 61.719 63.100 -0.075 0.000 0.788 602 P CB 0.278 31.931 31.700 -0.078 0.000 0.949 603 P HA 0.204 nan 4.420 nan 0.000 0.271 603 P C 0.104 177.367 177.300 -0.062 0.000 1.218 603 P CA 0.041 63.096 63.100 -0.075 0.000 0.780 603 P CB 0.399 32.054 31.700 -0.076 0.000 0.901 604 R N 2.122 122.588 120.500 -0.058 0.000 2.679 604 R HA 0.039 4.383 4.340 0.007 0.000 0.268 604 R C 1.685 177.970 176.300 -0.026 0.000 1.044 604 R CA -0.208 55.871 56.100 -0.034 0.000 1.105 604 R CB 0.271 30.562 30.300 -0.015 0.000 0.989 604 R HN 0.456 nan 8.270 nan 0.000 0.447 605 K N 2.156 122.547 120.400 -0.015 0.000 2.089 605 K HA -0.205 4.119 4.320 0.007 0.000 0.210 605 K C 1.431 178.030 176.600 -0.001 0.000 1.048 605 K CA 1.917 58.199 56.287 -0.009 0.000 0.926 605 K CB 0.158 32.657 32.500 -0.002 0.000 0.714 605 K HN 0.639 nan 8.250 nan 0.000 0.448 606 E N 0.524 120.732 120.200 0.014 0.000 2.479 606 E HA -0.026 4.329 4.350 0.007 0.000 0.193 606 E C 1.811 178.435 176.600 0.041 0.000 1.049 606 E CA 0.186 56.604 56.400 0.029 0.000 0.870 606 E CB -0.419 29.307 29.700 0.044 0.000 0.944 606 E HN -0.014 nan 8.360 nan 0.000 0.492 607 V N 1.712 121.634 119.914 0.013 0.000 2.287 607 V HA -0.295 3.830 4.120 0.007 0.000 0.248 607 V C 2.723 178.803 176.094 -0.023 0.000 1.053 607 V CA 2.303 64.590 62.300 -0.021 0.000 1.027 607 V CB -0.720 31.020 31.823 -0.139 0.000 0.646 607 V HN 0.270 nan 8.190 nan 0.000 0.447 608 M N 0.578 120.160 119.600 -0.029 0.000 2.082 608 M HA -0.180 4.304 4.480 0.007 0.000 0.258 608 M C 1.978 178.281 176.300 0.005 0.000 1.069 608 M CA 2.477 57.764 55.300 -0.023 0.000 1.102 608 M CB -0.594 31.994 32.600 -0.021 0.000 1.336 608 M HN 0.427 nan 8.290 nan 0.000 0.404 609 G N -1.579 107.232 108.800 0.019 0.000 2.534 609 G HA2 -0.096 3.869 3.960 0.007 0.000 0.217 609 G HA3 -0.096 3.869 3.960 0.007 0.000 0.217 609 G C 1.330 176.261 174.900 0.051 0.000 1.128 609 G CA 0.834 45.951 45.100 0.029 0.000 0.784 609 G HN 0.540 nan 8.290 nan 0.000 0.542 610 S N 0.714 116.465 115.700 0.085 0.000 2.377 610 S HA 0.020 4.494 4.470 0.007 0.000 0.223 610 S C 2.254 176.947 174.600 0.156 0.000 1.030 610 S CA 0.351 58.640 58.200 0.148 0.000 0.970 610 S CB -0.055 63.319 63.200 0.290 0.000 0.830 610 S HN 0.219 nan 8.310 nan 0.000 0.473 611 I N 2.025 122.662 120.570 0.110 0.000 2.163 611 I HA -0.175 3.999 4.170 0.007 0.000 0.243 611 I C 2.683 178.832 176.117 0.054 0.000 1.085 611 I CA 1.454 62.797 61.300 0.071 0.000 1.347 611 I CB -1.426 36.565 38.000 -0.016 0.000 1.044 611 I HN 0.301 nan 8.210 nan 0.000 0.408 612 Q N 1.141 120.963 119.800 0.038 0.000 2.030 612 Q HA -0.202 4.142 4.340 0.007 0.000 0.204 612 Q C 2.123 178.144 176.000 0.034 0.000 0.986 612 Q CA 1.732 57.552 55.803 0.029 0.000 0.843 612 Q CB -0.402 28.349 28.738 0.022 0.000 0.904 612 Q HN 0.290 nan 8.270 nan 0.000 0.420 613 L N -0.384 120.863 121.223 0.040 0.000 2.081 613 L HA -0.251 4.093 4.340 0.007 0.000 0.212 613 L C 2.444 179.334 176.870 0.033 0.000 1.080 613 L CA 1.511 56.371 54.840 0.033 0.000 0.754 613 L CB -1.121 40.957 42.059 0.033 0.000 0.893 613 L HN 0.425 nan 8.230 nan 0.000 0.433 614 C N -1.743 117.586 119.300 0.048 0.000 2.466 614 C HA -0.105 4.360 4.460 0.007 0.000 0.278 614 C C 2.899 177.909 174.990 0.034 0.000 1.288 614 C CA 0.382 59.427 59.018 0.045 0.000 1.722 614 C CB -0.808 26.978 27.740 0.076 0.000 2.017 614 C HN 0.505 nan 8.230 nan 0.000 0.488 615 R N 1.271 121.791 120.500 0.034 0.000 2.080 615 R HA -0.159 4.185 4.340 0.007 0.000 0.236 615 R C 1.723 178.036 176.300 0.021 0.000 1.137 615 R CA 2.130 58.245 56.100 0.026 0.000 0.943 615 R CB -0.379 29.935 30.300 0.024 0.000 0.846 615 R HN 0.482 nan 8.270 nan 0.000 0.431 616 D N 0.165 120.577 120.400 0.020 0.000 2.123 616 D HA -0.153 4.492 4.640 0.007 0.000 0.196 616 D C 1.268 177.577 176.300 0.015 0.000 0.992 616 D CA 1.594 55.604 54.000 0.016 0.000 0.833 616 D CB -0.225 40.584 40.800 0.016 0.000 0.954 616 D HN 0.387 nan 8.370 nan 0.000 0.455 617 A N 0.065 122.895 122.820 0.016 0.000 2.291 617 A HA 0.395 4.720 4.320 0.007 0.000 0.220 617 A C 1.506 179.098 177.584 0.014 0.000 1.262 617 A CA 0.731 52.777 52.037 0.014 0.000 0.867 617 A CB -0.729 18.279 19.000 0.012 0.000 0.888 617 A HN 0.222 nan 8.150 nan 0.000 0.487 618 G N -0.231 108.577 108.800 0.015 0.000 2.356 618 G HA2 -0.243 3.721 3.960 0.007 0.000 0.296 618 G HA3 -0.243 3.721 3.960 0.007 0.000 0.296 618 G C -0.070 174.838 174.900 0.014 0.000 1.022 618 G CA 0.685 45.793 45.100 0.014 0.000 0.961 618 G HN 0.556 nan 8.290 nan 0.000 0.510 619 I N -0.642 119.940 120.570 0.019 0.000 2.433 619 I HA 0.410 4.584 4.170 0.007 0.000 0.292 619 I C 0.703 176.838 176.117 0.030 0.000 1.001 619 I CA -1.026 60.286 61.300 0.021 0.000 1.119 619 I CB 1.751 39.763 38.000 0.020 0.000 1.289 619 I HN 0.139 nan 8.210 nan 0.000 0.438 620 R N 4.670 125.188 120.500 0.029 0.000 2.357 620 R HA 0.591 4.935 4.340 0.007 0.000 0.296 620 R C -1.313 175.012 176.300 0.042 0.000 1.052 620 R CA -0.397 55.723 56.100 0.034 0.000 0.988 620 R CB 1.287 31.607 30.300 0.033 0.000 1.025 620 R HN 0.428 nan 8.270 nan 0.000 0.469 621 V N 6.685 126.619 119.914 0.034 0.000 2.350 621 V HA 0.369 4.493 4.120 0.007 0.000 0.285 621 V C -0.080 176.010 176.094 -0.006 0.000 1.014 621 V CA -0.590 61.729 62.300 0.032 0.000 0.831 621 V CB 1.379 33.219 31.823 0.028 0.000 1.000 621 V HN 0.677 nan 8.190 nan 0.000 0.433 622 I N 5.109 125.687 120.570 0.012 0.000 2.412 622 I HA 0.506 4.680 4.170 0.007 0.000 0.296 622 I C -0.013 176.101 176.117 -0.005 0.000 0.987 622 I CA -0.423 60.891 61.300 0.023 0.000 1.180 622 I CB 1.843 39.887 38.000 0.072 0.000 1.340 622 I HN 0.560 nan 8.210 nan 0.000 0.455 623 M N 7.149 126.742 119.600 -0.013 0.000 2.300 623 M HA 0.586 5.070 4.480 0.007 0.000 0.348 623 M C -1.515 174.822 176.300 0.061 0.000 1.151 623 M CA -0.278 55.004 55.300 -0.029 0.000 1.046 623 M CB 1.167 33.706 32.600 -0.101 0.000 1.647 623 M HN 0.477 nan 8.290 nan 0.000 0.451 624 I N 3.925 124.508 120.570 0.022 0.000 2.497 624 I HA 0.327 4.501 4.170 0.007 0.000 0.284 624 I C -0.666 175.458 176.117 0.010 0.000 1.060 624 I CA -0.412 60.908 61.300 0.033 0.000 1.071 624 I CB 2.094 40.062 38.000 -0.054 0.000 1.216 624 I HN 0.659 nan 8.210 nan 0.000 0.442 625 T N 2.528 117.099 114.554 0.029 0.000 2.901 625 T HA 0.544 4.899 4.350 0.007 0.000 0.293 625 T C 0.834 175.546 174.700 0.021 0.000 1.084 625 T CA -0.165 61.941 62.100 0.010 0.000 1.008 625 T CB 1.915 70.782 68.868 -0.002 0.000 1.170 625 T HN 0.685 nan 8.240 nan 0.000 0.509 626 G N 1.216 110.020 108.800 0.008 0.000 2.838 626 G HA2 0.143 4.107 3.960 0.007 0.000 0.210 626 G HA3 0.143 4.107 3.960 0.007 0.000 0.210 626 G C 0.480 175.387 174.900 0.012 0.000 1.153 626 G CA -0.001 45.105 45.100 0.010 0.000 0.778 626 G HN 0.684 nan 8.290 nan 0.000 0.539 627 D N 0.643 121.048 120.400 0.009 0.000 2.384 627 D HA 0.074 4.718 4.640 0.007 0.000 0.244 627 D C 0.110 176.421 176.300 0.018 0.000 1.251 627 D CA -0.530 53.477 54.000 0.010 0.000 0.961 627 D CB 0.459 41.260 40.800 0.003 0.000 1.116 627 D HN -0.084 nan 8.370 nan 0.000 0.484 628 N N 1.123 119.835 118.700 0.020 0.000 2.518 628 N HA -0.003 4.742 4.740 0.007 0.000 0.266 628 N C 0.761 176.283 175.510 0.021 0.000 1.196 628 N CA -0.141 52.923 53.050 0.024 0.000 0.947 628 N CB 1.042 39.545 38.487 0.027 0.000 1.098 628 N HN 0.429 nan 8.380 nan 0.000 0.450 629 K N 1.971 122.384 120.400 0.021 0.000 2.059 629 K HA -0.184 4.140 4.320 0.007 0.000 0.212 629 K C 1.807 178.416 176.600 0.015 0.000 1.050 629 K CA 1.930 58.226 56.287 0.014 0.000 0.927 629 K CB -0.592 31.910 32.500 0.004 0.000 0.714 629 K HN 0.684 nan 8.250 nan 0.000 0.447 630 G N -0.353 108.457 108.800 0.016 0.000 2.529 630 G HA2 -0.316 3.648 3.960 0.007 0.000 0.219 630 G HA3 -0.316 3.648 3.960 0.007 0.000 0.219 630 G C 1.527 176.439 174.900 0.019 0.000 1.177 630 G CA 1.658 46.769 45.100 0.017 0.000 0.773 630 G HN 0.409 nan 8.290 nan 0.000 0.573 631 T N 1.255 115.819 114.554 0.017 0.000 2.777 631 T HA 0.104 4.458 4.350 0.007 0.000 0.266 631 T C 2.815 177.517 174.700 0.003 0.000 1.040 631 T CA 1.521 63.627 62.100 0.010 0.000 1.141 631 T CB -0.372 68.501 68.868 0.008 0.000 0.868 631 T HN 0.407 nan 8.240 nan 0.000 0.444 632 A N 1.438 124.261 122.820 0.005 0.000 1.865 632 A HA -0.059 4.266 4.320 0.007 0.000 0.217 632 A C 2.228 179.817 177.584 0.007 0.000 1.191 632 A CA 1.400 53.434 52.037 -0.005 0.000 0.623 632 A CB -0.849 18.151 19.000 0.000 0.000 0.826 632 A HN 0.544 nan 8.150 nan 0.000 0.444 633 I N -0.170 120.431 120.570 0.052 0.000 2.264 633 I HA -0.302 3.873 4.170 0.007 0.000 0.248 633 I C 2.816 178.994 176.117 0.103 0.000 1.111 633 I CA 1.109 62.489 61.300 0.132 0.000 1.382 633 I CB -0.322 37.748 38.000 0.117 0.000 1.060 633 I HN 0.370 nan 8.210 nan 0.000 0.418 634 A N 0.650 123.497 122.820 0.044 0.000 2.014 634 A HA -0.069 4.255 4.320 0.007 0.000 0.218 634 A C 2.216 179.801 177.584 0.002 0.000 1.163 634 A CA 0.972 53.023 52.037 0.024 0.000 0.652 634 A CB -0.335 18.670 19.000 0.008 0.000 0.808 634 A HN 0.292 nan 8.150 nan 0.000 0.449 635 I N -0.600 119.960 120.570 -0.018 0.000 2.333 635 I HA -0.162 4.013 4.170 0.007 0.000 0.246 635 I C 2.362 178.435 176.117 -0.073 0.000 1.106 635 I CA 0.821 62.090 61.300 -0.051 0.000 1.411 635 I CB -1.479 36.481 38.000 -0.067 0.000 1.082 635 I HN 0.327 nan 8.210 nan 0.000 0.420 636 C N 0.757 120.004 119.300 -0.088 0.000 2.422 636 C HA -0.121 4.343 4.460 0.007 0.000 0.279 636 C C 2.808 177.767 174.990 -0.051 0.000 1.305 636 C CA 0.615 59.524 59.018 -0.181 0.000 1.757 636 C CB -1.121 26.353 27.740 -0.444 0.000 1.962 636 C HN 0.420 nan 8.230 nan 0.000 0.499 637 R N 0.026 120.562 120.500 0.060 0.000 2.276 637 R HA 0.017 4.361 4.340 0.007 0.000 0.203 637 R C 2.190 178.503 176.300 0.021 0.000 1.017 637 R CA 0.653 56.804 56.100 0.085 0.000 1.010 637 R CB -0.087 30.266 30.300 0.088 0.000 0.900 637 R HN 0.606 nan 8.270 nan 0.000 0.469 638 R N -0.266 120.226 120.500 -0.014 0.000 2.146 638 R HA 0.188 4.532 4.340 0.007 0.000 0.206 638 R C 1.993 178.267 176.300 -0.044 0.000 1.049 638 R CA 0.413 56.495 56.100 -0.029 0.000 1.029 638 R CB 0.166 30.441 30.300 -0.040 0.000 0.949 638 R HN 0.113 nan 8.270 nan 0.000 0.471 639 I N 0.126 120.655 120.570 -0.068 0.000 2.830 639 I HA -0.060 4.115 4.170 0.007 0.000 0.263 639 I C 1.094 177.165 176.117 -0.076 0.000 1.230 639 I CA 1.187 62.431 61.300 -0.094 0.000 1.480 639 I CB 0.092 38.003 38.000 -0.149 0.000 1.095 639 I HN 0.524 nan 8.210 nan 0.000 0.455 640 G N 0.611 109.380 108.800 -0.051 0.000 2.176 640 G HA2 -0.257 3.707 3.960 0.007 0.000 0.232 640 G HA3 -0.257 3.707 3.960 0.007 0.000 0.232 640 G C 0.823 175.703 174.900 -0.033 0.000 0.986 640 G CA 0.098 45.183 45.100 -0.024 0.000 0.643 640 G HN 0.346 nan 8.290 nan 0.000 0.522 641 I N -0.347 120.157 120.570 -0.111 0.000 2.614 641 I HA 0.196 4.370 4.170 0.007 0.000 0.258 641 I C 0.942 176.997 176.117 -0.102 0.000 1.189 641 I CA 1.098 62.278 61.300 -0.201 0.000 1.462 641 I CB -0.074 37.678 38.000 -0.413 0.000 1.092 641 I HN 0.225 nan 8.210 nan 0.000 0.442 642 F N -0.652 119.280 119.950 -0.030 0.000 2.588 642 F HA 0.499 5.030 4.527 0.007 0.000 0.314 642 F C 0.781 176.564 175.800 -0.029 0.000 1.069 642 F CA -1.250 56.732 58.000 -0.031 0.000 0.931 642 F CB 1.596 40.572 39.000 -0.039 0.000 1.260 642 F HN -0.234 nan 8.300 nan 0.000 0.465 643 G N 0.798 109.696 108.800 0.164 0.000 2.572 643 G HA2 0.180 4.144 3.960 0.007 0.000 0.261 643 G HA3 0.180 4.144 3.960 0.007 0.000 0.261 643 G C 0.376 175.306 174.900 0.049 0.000 1.197 643 G CA -0.351 44.791 45.100 0.070 0.000 0.870 643 G HN 0.841 nan 8.290 nan 0.000 0.548 644 E N 0.288 120.503 120.200 0.025 0.000 2.204 644 E HA -0.124 4.230 4.350 0.007 0.000 0.195 644 E C 1.204 177.797 176.600 -0.011 0.000 0.990 644 E CA 0.911 57.318 56.400 0.011 0.000 0.821 644 E CB 0.171 29.873 29.700 0.003 0.000 0.750 644 E HN 0.447 nan 8.360 nan 0.000 0.477 645 N N 0.656 119.342 118.700 -0.023 0.000 2.197 645 N HA -0.027 4.717 4.740 0.007 0.000 0.201 645 N C 0.006 175.474 175.510 -0.070 0.000 1.148 645 N CA 0.008 53.034 53.050 -0.041 0.000 0.883 645 N CB 0.551 39.019 38.487 -0.032 0.000 1.012 645 N HN 0.176 nan 8.380 nan 0.000 0.507 646 E N 2.422 122.574 120.200 -0.080 0.000 2.694 646 E HA -0.123 4.231 4.350 0.007 0.000 0.250 646 E C -0.181 176.296 176.600 -0.205 0.000 0.963 646 E CA 0.201 56.524 56.400 -0.129 0.000 0.949 646 E CB 0.461 30.081 29.700 -0.133 0.000 0.911 646 E HN 0.135 nan 8.360 nan 0.000 0.500 647 E N 3.352 123.447 120.200 -0.175 0.000 2.366 647 E HA 0.016 4.371 4.350 0.007 0.000 0.266 647 E C -0.052 176.374 176.600 -0.290 0.000 1.015 647 E CA -0.197 56.089 56.400 -0.190 0.000 0.906 647 E CB 0.775 30.396 29.700 -0.133 0.000 0.979 647 E HN 0.425 nan 8.360 nan 0.000 0.443 648 V N 4.264 123.970 119.914 -0.345 0.000 3.477 648 V HA 0.077 4.202 4.120 0.007 0.000 0.297 648 V C 1.569 177.465 176.094 -0.329 0.000 1.433 648 V CA 0.599 62.613 62.300 -0.477 0.000 1.052 648 V CB 0.370 31.745 31.823 -0.746 0.000 0.895 648 V HN 0.802 nan 8.190 nan 0.000 0.438 649 A N 1.632 124.307 122.820 -0.242 0.000 2.159 649 A HA -0.258 4.066 4.320 0.007 0.000 0.222 649 A C 1.706 179.139 177.584 -0.250 0.000 1.163 649 A CA 2.232 54.142 52.037 -0.211 0.000 0.664 649 A CB -0.289 18.623 19.000 -0.147 0.000 0.803 649 A HN 0.756 nan 8.150 nan 0.000 0.470 650 D N -1.919 118.333 120.400 -0.246 0.000 2.527 650 D HA 0.048 4.692 4.640 0.007 0.000 0.224 650 D C 0.523 176.688 176.300 -0.224 0.000 1.217 650 D CA -0.031 53.831 54.000 -0.230 0.000 0.819 650 D CB -0.292 40.456 40.800 -0.087 0.000 1.061 650 D HN 0.631 nan 8.370 nan 0.000 0.515 651 R N 0.388 120.736 120.500 -0.253 0.000 2.772 651 R HA 0.714 5.058 4.340 0.007 0.000 0.358 651 R C -0.584 175.658 176.300 -0.097 0.000 1.143 651 R CA -0.677 55.367 56.100 -0.094 0.000 1.153 651 R CB 0.697 31.006 30.300 0.016 0.000 1.329 651 R HN 0.029 nan 8.270 nan 0.000 0.615 652 A N 1.065 123.643 122.820 -0.404 0.000 2.475 652 A HA 0.389 4.713 4.320 0.007 0.000 0.300 652 A C -1.679 175.599 177.584 -0.511 0.000 1.089 652 A CA -0.732 51.121 52.037 -0.307 0.000 0.948 652 A CB 0.144 19.115 19.000 -0.048 0.000 1.508 652 A HN 0.334 nan 8.150 nan 0.000 0.385 653 Y N 0.665 120.743 120.300 -0.369 0.000 2.534 653 Y HA 0.722 5.276 4.550 0.006 0.000 0.329 653 Y C 1.349 177.184 175.900 -0.107 0.000 1.154 653 Y CA 0.021 58.004 58.100 -0.195 0.000 1.192 653 Y CB 1.701 40.087 38.460 -0.125 0.000 1.275 653 Y HN 0.653 nan 8.280 nan 0.000 0.491 654 T N -2.590 112.050 114.554 0.143 0.000 2.927 654 T HA 0.395 4.750 4.350 0.007 0.000 0.281 654 T C 1.262 176.023 174.700 0.102 0.000 0.998 654 T CA -0.294 61.862 62.100 0.094 0.000 1.019 654 T CB 1.402 70.314 68.868 0.074 0.000 1.061 654 T HN 0.821 nan 8.240 nan 0.000 0.518 655 G N 0.843 109.639 108.800 -0.006 0.000 2.476 655 G HA2 -0.270 3.694 3.960 0.007 0.000 0.218 655 G HA3 -0.270 3.694 3.960 0.007 0.000 0.218 655 G C 1.585 176.477 174.900 -0.012 0.000 1.164 655 G CA 0.966 45.898 45.100 -0.280 0.000 0.768 655 G HN 0.766 nan 8.290 nan 0.000 0.560 656 R N 0.733 121.298 120.500 0.108 0.000 2.103 656 R HA -0.075 4.269 4.340 0.007 0.000 0.234 656 R C 2.558 178.939 176.300 0.135 0.000 1.132 656 R CA 2.193 58.375 56.100 0.137 0.000 0.925 656 R CB -0.774 29.594 30.300 0.113 0.000 0.842 656 R HN 0.531 nan 8.270 nan 0.000 0.430 657 E N -0.860 119.428 120.200 0.146 0.000 2.065 657 E HA -0.268 4.086 4.350 0.007 0.000 0.201 657 E C 1.859 178.555 176.600 0.160 0.000 1.016 657 E CA 1.797 58.299 56.400 0.169 0.000 0.818 657 E CB -0.405 29.440 29.700 0.242 0.000 0.749 657 E HN 0.371 nan 8.360 nan 0.000 0.453 658 F N 1.862 121.829 119.950 0.029 0.000 2.202 658 F HA -0.209 4.321 4.527 0.006 0.000 0.301 658 F C 1.611 177.395 175.800 -0.027 0.000 1.082 658 F CA 1.413 59.373 58.000 -0.066 0.000 1.313 658 F CB 0.115 39.094 39.000 -0.035 0.000 1.024 658 F HN -0.083 nan 8.300 nan 0.000 0.495 659 D N 0.074 120.527 120.400 0.088 0.000 2.224 659 D HA -0.126 4.518 4.640 0.007 0.000 0.205 659 D C 1.575 177.848 176.300 -0.045 0.000 0.965 659 D CA 1.030 55.063 54.000 0.055 0.000 0.852 659 D CB -0.342 40.566 40.800 0.181 0.000 0.947 659 D HN 0.352 nan 8.370 nan 0.000 0.494 660 D N -0.184 120.193 120.400 -0.037 0.000 2.347 660 D HA 0.045 4.690 4.640 0.007 0.000 0.213 660 D C 0.781 177.025 176.300 -0.094 0.000 0.985 660 D CA 0.078 54.055 54.000 -0.038 0.000 0.879 660 D CB 0.373 41.179 40.800 0.010 0.000 0.919 660 D HN 0.221 nan 8.370 nan 0.000 0.526 661 L N 1.143 122.245 121.223 -0.201 0.000 2.453 661 L HA 0.242 4.586 4.340 0.007 0.000 0.261 661 L C -1.957 174.781 176.870 -0.221 0.000 1.179 661 L CA -1.702 52.999 54.840 -0.232 0.000 0.813 661 L CB 0.213 42.039 42.059 -0.389 0.000 1.110 661 L HN -0.267 nan 8.230 nan 0.000 0.466 662 P HA 0.073 nan 4.420 nan 0.000 0.274 662 P C 0.444 177.651 177.300 -0.155 0.000 1.237 662 P CA -0.559 62.470 63.100 -0.119 0.000 0.793 662 P CB 0.609 32.260 31.700 -0.082 0.000 0.977 663 L N 1.805 122.972 121.223 -0.094 0.000 1.990 663 L HA -0.268 4.077 4.340 0.007 0.000 0.213 663 L C 2.408 179.202 176.870 -0.127 0.000 1.072 663 L CA 2.635 57.434 54.840 -0.067 0.000 0.755 663 L CB -2.010 40.063 42.059 0.023 0.000 0.889 663 L HN 0.443 nan 8.230 nan 0.000 0.432 664 A N -1.118 121.651 122.820 -0.086 0.000 1.883 664 A HA -0.258 4.067 4.320 0.007 0.000 0.217 664 A C 2.298 179.807 177.584 -0.124 0.000 1.186 664 A CA 1.884 53.873 52.037 -0.079 0.000 0.624 664 A CB -0.600 18.375 19.000 -0.042 0.000 0.822 664 A HN 0.388 nan 8.150 nan 0.000 0.444 665 E N -0.187 119.927 120.200 -0.143 0.000 2.153 665 E HA -0.156 4.198 4.350 0.007 0.000 0.194 665 E C 2.239 178.687 176.600 -0.252 0.000 0.988 665 E CA 1.339 57.644 56.400 -0.159 0.000 0.811 665 E CB -0.227 29.382 29.700 -0.152 0.000 0.746 665 E HN 0.761 nan 8.360 nan 0.000 0.466 666 Q N -0.443 119.119 119.800 -0.397 0.000 1.990 666 Q HA -0.119 4.226 4.340 0.007 0.000 0.200 666 Q C 2.334 178.019 176.000 -0.525 0.000 0.980 666 Q CA 1.346 56.801 55.803 -0.581 0.000 0.832 666 Q CB -0.218 28.034 28.738 -0.810 0.000 0.897 666 Q HN 0.103 nan 8.270 nan 0.000 0.427 667 R N 0.638 120.663 120.500 -0.791 0.000 2.133 667 R HA -0.250 4.094 4.340 0.007 0.000 0.247 667 R C 2.049 178.309 176.300 -0.067 0.000 1.151 667 R CA 1.789 57.527 56.100 -0.603 0.000 0.971 667 R CB -0.000 30.126 30.300 -0.290 0.000 0.866 667 R HN 0.142 nan 8.270 nan 0.000 0.447 668 E N -0.193 119.980 120.200 -0.045 0.000 2.076 668 E HA -0.032 4.322 4.350 0.007 0.000 0.190 668 E C 1.651 178.295 176.600 0.073 0.000 0.979 668 E CA 1.400 57.834 56.400 0.057 0.000 0.807 668 E CB -0.177 29.533 29.700 0.017 0.000 0.761 668 E HN 0.388 nan 8.360 nan 0.000 0.454 669 A N -0.022 122.822 122.820 0.039 0.000 1.972 669 A HA -0.196 4.129 4.320 0.007 0.000 0.219 669 A C 2.478 180.248 177.584 0.310 0.000 1.169 669 A CA 1.452 53.559 52.037 0.116 0.000 0.635 669 A CB -1.057 17.903 19.000 -0.067 0.000 0.810 669 A HN 0.496 nan 8.150 nan 0.000 0.446 670 C N -1.067 118.413 119.300 0.301 0.000 2.419 670 C HA -0.038 4.426 4.460 0.007 0.000 0.281 670 C C 2.777 177.916 174.990 0.248 0.000 1.336 670 C CA 0.952 60.158 59.018 0.313 0.000 1.770 670 C CB -1.234 26.635 27.740 0.214 0.000 1.929 670 C HN 0.562 nan 8.230 nan 0.000 0.509 671 R N 0.440 121.047 120.500 0.180 0.000 2.200 671 R HA -0.009 4.335 4.340 0.007 0.000 0.208 671 R C 2.272 178.622 176.300 0.084 0.000 1.033 671 R CA 0.811 56.953 56.100 0.069 0.000 1.000 671 R CB -0.072 30.167 30.300 -0.101 0.000 0.906 671 R HN 0.689 nan 8.270 nan 0.000 0.462 672 R N -0.509 120.069 120.500 0.131 0.000 2.221 672 R HA 0.320 4.664 4.340 0.007 0.000 0.195 672 R C 0.651 177.057 176.300 0.177 0.000 0.956 672 R CA 0.263 56.439 56.100 0.126 0.000 1.064 672 R CB 0.157 30.517 30.300 0.100 0.000 1.049 672 R HN -0.103 nan 8.270 nan 0.000 0.534 673 A N 0.645 123.610 122.820 0.242 0.000 2.407 673 A HA 0.329 4.654 4.320 0.007 0.000 0.248 673 A C 0.338 178.083 177.584 0.268 0.000 1.082 673 A CA -0.379 51.777 52.037 0.198 0.000 0.785 673 A CB 0.506 19.507 19.000 0.002 0.000 1.020 673 A HN 0.548 nan 8.150 nan 0.000 0.489 674 C N 0.048 119.464 119.300 0.192 0.000 3.785 674 C HA 0.379 4.843 4.460 0.007 0.000 0.312 674 C C 0.332 175.336 174.990 0.024 0.000 1.566 674 C CA -0.296 58.796 59.018 0.123 0.000 1.837 674 C CB -1.185 26.557 27.740 0.003 0.000 2.826 674 C HN 0.870 nan 8.230 nan 0.000 0.667 675 C N 2.003 121.318 119.300 0.025 0.000 2.679 675 C HA 0.699 5.164 4.460 0.007 0.000 0.354 675 C C -1.530 173.406 174.990 -0.089 0.000 1.067 675 C CA -0.465 58.553 59.018 0.000 0.000 1.317 675 C CB -1.088 26.619 27.740 -0.055 0.000 1.843 675 C HN 0.385 nan 8.230 nan 0.000 0.459 676 F N 4.656 124.598 119.950 -0.012 0.000 2.426 676 F HA 0.738 5.269 4.527 0.008 0.000 0.348 676 F C 0.625 176.401 175.800 -0.039 0.000 1.124 676 F CA -0.158 57.824 58.000 -0.029 0.000 1.008 676 F CB 1.615 40.531 39.000 -0.140 0.000 1.139 676 F HN 0.808 nan 8.300 nan 0.000 0.452 677 A N 2.739 125.622 122.820 0.105 0.000 2.386 677 A HA 0.794 5.118 4.320 0.007 0.000 0.308 677 A C 0.462 178.082 177.584 0.060 0.000 1.128 677 A CA -1.119 50.957 52.037 0.065 0.000 0.789 677 A CB 1.066 20.088 19.000 0.036 0.000 1.325 677 A HN 0.850 nan 8.150 nan 0.000 0.437 678 R N -1.009 119.522 120.500 0.051 0.000 3.336 678 R HA -0.144 4.200 4.340 0.007 0.000 0.260 678 R C -0.183 176.171 176.300 0.091 0.000 1.032 678 R CA 0.626 56.760 56.100 0.057 0.000 0.693 678 R CB -2.133 28.200 30.300 0.055 0.000 1.134 678 R HN 1.448 nan 8.270 nan 0.000 0.433 679 V N -2.451 117.529 119.914 0.110 0.000 3.109 679 V HA 0.593 4.717 4.120 0.007 0.000 0.317 679 V C 0.631 176.841 176.094 0.193 0.000 1.074 679 V CA -0.618 61.840 62.300 0.265 0.000 1.033 679 V CB 1.872 33.809 31.823 0.190 0.000 1.111 679 V HN 0.262 nan 8.190 nan 0.000 0.458 680 E N 1.960 122.279 120.200 0.199 0.000 2.239 680 E HA 0.366 4.720 4.350 0.007 0.000 0.261 680 E C -2.099 174.429 176.600 -0.120 0.000 1.016 680 E CA -1.934 54.404 56.400 -0.103 0.000 0.882 680 E CB 1.465 30.996 29.700 -0.283 0.000 1.190 680 E HN 0.458 nan 8.360 nan 0.000 0.415 681 P HA -0.166 nan 4.420 nan 0.000 0.217 681 P C 0.913 178.143 177.300 -0.117 0.000 1.148 681 P CA 1.402 64.431 63.100 -0.119 0.000 0.828 681 P CB 0.232 31.854 31.700 -0.129 0.000 0.783 682 S N -2.040 113.558 115.700 -0.169 0.000 2.406 682 S HA -0.154 4.320 4.470 0.007 0.000 0.228 682 S C 1.622 176.169 174.600 -0.088 0.000 1.020 682 S CA 0.941 59.054 58.200 -0.146 0.000 0.965 682 S CB -1.110 61.983 63.200 -0.178 0.000 0.798 682 S HN 0.415 nan 8.310 nan 0.000 0.488 683 H N 1.397 120.432 119.070 -0.059 0.000 2.319 683 H HA -0.054 4.506 4.556 0.006 0.000 0.299 683 H C 2.288 177.515 175.328 -0.170 0.000 1.092 683 H CA 1.456 57.451 56.048 -0.088 0.000 1.302 683 H CB 0.011 29.724 29.762 -0.081 0.000 1.373 683 H HN 0.268 nan 8.280 nan 0.000 0.497 684 K N 0.039 120.428 120.400 -0.018 0.000 2.020 684 K HA -0.186 4.138 4.320 0.007 0.000 0.212 684 K C 2.608 179.145 176.600 -0.105 0.000 1.050 684 K CA 1.458 57.688 56.287 -0.096 0.000 0.929 684 K CB -0.247 32.210 32.500 -0.071 0.000 0.714 684 K HN 0.078 nan 8.250 nan 0.000 0.443 685 S N 0.976 116.627 115.700 -0.082 0.000 2.353 685 S HA -0.223 4.252 4.470 0.007 0.000 0.222 685 S C 1.984 176.525 174.600 -0.098 0.000 1.035 685 S CA 1.651 59.800 58.200 -0.085 0.000 1.025 685 S CB -0.114 63.038 63.200 -0.080 0.000 0.902 685 S HN 0.226 nan 8.310 nan 0.000 0.440 686 K N 0.348 120.700 120.400 -0.080 0.000 2.020 686 K HA -0.094 4.230 4.320 0.007 0.000 0.212 686 K C 2.107 178.663 176.600 -0.073 0.000 1.050 686 K CA 1.982 58.215 56.287 -0.090 0.000 0.929 686 K CB -0.419 32.115 32.500 0.056 0.000 0.714 686 K HN 0.473 nan 8.250 nan 0.000 0.443 687 I N 0.603 121.118 120.570 -0.092 0.000 2.194 687 I HA -0.325 3.849 4.170 0.007 0.000 0.246 687 I C 2.241 178.321 176.117 -0.062 0.000 1.093 687 I CA 1.157 62.374 61.300 -0.137 0.000 1.355 687 I CB -0.311 37.374 38.000 -0.524 0.000 1.046 687 I HN 0.052 nan 8.210 nan 0.000 0.413 688 V N 0.780 120.636 119.914 -0.097 0.000 2.255 688 V HA -0.339 3.785 4.120 0.007 0.000 0.247 688 V C 2.528 178.596 176.094 -0.044 0.000 1.051 688 V CA 2.351 64.614 62.300 -0.062 0.000 1.018 688 V CB -0.685 31.096 31.823 -0.069 0.000 0.641 688 V HN 0.521 nan 8.190 nan 0.000 0.445 689 E N -0.836 119.307 120.200 -0.094 0.000 2.070 689 E HA -0.275 4.079 4.350 0.007 0.000 0.197 689 E C 2.232 178.771 176.600 -0.103 0.000 1.004 689 E CA 1.960 58.280 56.400 -0.134 0.000 0.805 689 E CB -0.268 29.295 29.700 -0.228 0.000 0.744 689 E HN 0.660 nan 8.360 nan 0.000 0.451 690 Y N 0.155 120.432 120.300 -0.039 0.000 2.128 690 Y HA -0.213 4.341 4.550 0.007 0.000 0.284 690 Y C 2.246 178.129 175.900 -0.029 0.000 1.154 690 Y CA 0.989 59.063 58.100 -0.044 0.000 1.149 690 Y CB -0.584 37.895 38.460 0.031 0.000 0.976 690 Y HN 0.165 nan 8.280 nan 0.000 0.505 691 L N 0.142 121.486 121.223 0.203 0.000 2.127 691 L HA -0.245 4.100 4.340 0.007 0.000 0.211 691 L C 2.034 178.999 176.870 0.158 0.000 1.089 691 L CA 1.760 56.727 54.840 0.212 0.000 0.757 691 L CB -0.997 41.133 42.059 0.118 0.000 0.899 691 L HN 0.355 nan 8.230 nan 0.000 0.434 692 Q N -1.688 118.147 119.800 0.059 0.000 2.432 692 Q HA -0.027 4.318 4.340 0.007 0.000 0.205 692 Q C 1.735 177.728 176.000 -0.012 0.000 0.945 692 Q CA 0.944 56.760 55.803 0.022 0.000 0.924 692 Q CB -0.057 28.672 28.738 -0.016 0.000 1.016 692 Q HN 0.597 nan 8.270 nan 0.000 0.503 693 S N -0.755 114.897 115.700 -0.081 0.000 2.754 693 S HA -0.002 4.472 4.470 0.007 0.000 0.223 693 S C 0.251 174.659 174.600 -0.320 0.000 0.951 693 S CA -0.010 58.076 58.200 -0.191 0.000 0.954 693 S CB -0.009 63.055 63.200 -0.226 0.000 0.780 693 S HN 0.298 nan 8.310 nan 0.000 0.509 694 Y N 1.260 121.585 120.300 0.042 0.000 2.719 694 Y HA 0.310 4.864 4.550 0.007 0.000 0.251 694 Y C 0.256 176.167 175.900 0.019 0.000 1.159 694 Y CA -1.497 56.623 58.100 0.033 0.000 1.166 694 Y CB -0.100 38.383 38.460 0.037 0.000 1.219 694 Y HN 0.200 nan 8.280 nan 0.000 0.551 695 D N 0.158 120.623 120.400 0.109 0.000 3.039 695 D HA -0.234 4.410 4.640 0.007 0.000 0.222 695 D C -0.083 176.255 176.300 0.064 0.000 1.179 695 D CA 1.015 55.054 54.000 0.066 0.000 0.880 695 D CB -0.504 40.332 40.800 0.060 0.000 1.115 695 D HN 0.513 nan 8.370 nan 0.000 0.416 696 E N -0.069 120.185 120.200 0.091 0.000 2.301 696 E HA 0.251 4.605 4.350 0.007 0.000 0.275 696 E C 0.627 177.245 176.600 0.029 0.000 1.030 696 E CA -0.674 55.765 56.400 0.064 0.000 0.852 696 E CB 1.124 30.881 29.700 0.095 0.000 1.060 696 E HN 0.036 nan 8.360 nan 0.000 0.401 697 I N 3.419 123.992 120.570 0.004 0.000 2.337 697 I HA 0.058 4.232 4.170 0.007 0.000 0.291 697 I C 0.686 176.797 176.117 -0.010 0.000 1.046 697 I CA 0.004 61.294 61.300 -0.017 0.000 1.324 697 I CB 0.070 38.044 38.000 -0.045 0.000 1.409 697 I HN 0.421 nan 8.210 nan 0.000 0.494 698 T N 3.258 117.806 114.554 -0.010 0.000 2.855 698 T HA 0.880 5.235 4.350 0.007 0.000 0.281 698 T C -0.294 174.395 174.700 -0.018 0.000 1.007 698 T CA -0.812 61.285 62.100 -0.006 0.000 1.009 698 T CB 2.321 71.189 68.868 0.000 0.000 0.983 698 T HN 0.644 nan 8.240 nan 0.000 0.455 699 A N 2.813 125.624 122.820 -0.014 0.000 2.356 699 A HA 0.854 5.178 4.320 0.007 0.000 0.323 699 A C -0.600 176.979 177.584 -0.009 0.000 1.119 699 A CA -1.031 50.995 52.037 -0.020 0.000 0.790 699 A CB 1.560 20.544 19.000 -0.026 0.000 1.273 699 A HN 0.910 nan 8.150 nan 0.000 0.452 700 M N 1.253 120.845 119.600 -0.013 0.000 2.326 700 M HA 0.568 5.052 4.480 0.007 0.000 0.306 700 M C -1.015 175.290 176.300 0.008 0.000 1.054 700 M CA 0.004 55.300 55.300 -0.006 0.000 0.922 700 M CB 1.853 34.439 32.600 -0.024 0.000 1.632 700 M HN 0.491 nan 8.290 nan 0.000 0.436 701 T N 4.089 118.668 114.554 0.042 0.000 2.791 701 T HA 0.871 5.225 4.350 0.007 0.000 0.288 701 T C -0.323 174.411 174.700 0.058 0.000 0.999 701 T CA -0.453 61.689 62.100 0.071 0.000 0.952 701 T CB 0.998 69.984 68.868 0.196 0.000 0.938 701 T HN 0.881 nan 8.240 nan 0.000 0.444 702 G N 1.390 110.209 108.800 0.032 0.000 2.721 702 G HA2 0.588 4.552 3.960 0.007 0.000 0.296 702 G HA3 0.588 4.552 3.960 0.007 0.000 0.296 702 G C -0.838 174.070 174.900 0.013 0.000 1.383 702 G CA -0.786 44.325 45.100 0.018 0.000 0.788 702 G HN 0.534 nan 8.290 nan 0.000 0.500 703 D N -1.784 118.619 120.400 0.005 0.000 2.460 703 D HA 0.206 4.851 4.640 0.007 0.000 0.263 703 D C 0.920 177.220 176.300 0.000 0.000 1.209 703 D CA 0.602 54.606 54.000 0.006 0.000 0.818 703 D CB 0.222 41.029 40.800 0.012 0.000 1.239 703 D HN 0.771 nan 8.370 nan 0.000 0.530 704 G N 0.564 109.356 108.800 -0.013 0.000 2.521 704 G HA2 0.436 4.400 3.960 0.007 0.000 0.323 704 G HA3 0.436 4.400 3.960 0.007 0.000 0.323 704 G C 0.928 175.800 174.900 -0.047 0.000 1.211 704 G CA -0.153 44.931 45.100 -0.028 0.000 0.979 704 G HN 0.226 nan 8.290 nan 0.000 0.490 705 V N -0.307 119.557 119.914 -0.084 0.000 3.129 705 V HA -0.042 4.083 4.120 0.007 0.000 0.259 705 V C 1.904 177.926 176.094 -0.119 0.000 1.116 705 V CA 1.681 63.911 62.300 -0.116 0.000 1.127 705 V CB -0.614 31.063 31.823 -0.242 0.000 0.742 705 V HN 0.722 nan 8.190 nan 0.000 0.474 706 N N -0.003 118.629 118.700 -0.113 0.000 2.512 706 N HA -0.147 4.597 4.740 0.007 0.000 0.183 706 N C 1.056 176.518 175.510 -0.080 0.000 1.073 706 N CA 1.424 54.410 53.050 -0.106 0.000 0.911 706 N CB -0.500 37.926 38.487 -0.102 0.000 0.964 706 N HN 0.543 nan 8.380 nan 0.000 0.447 707 D N 0.602 120.964 120.400 -0.064 0.000 2.349 707 D HA 0.174 4.818 4.640 0.007 0.000 0.215 707 D C 1.692 177.962 176.300 -0.050 0.000 1.016 707 D CA 0.236 54.206 54.000 -0.050 0.000 0.870 707 D CB 0.334 41.114 40.800 -0.034 0.000 0.917 707 D HN 0.356 nan 8.370 nan 0.000 0.524 708 A N 2.156 124.942 122.820 -0.056 0.000 1.851 708 A HA -0.136 4.189 4.320 0.007 0.000 0.216 708 A C -0.190 177.364 177.584 -0.051 0.000 1.195 708 A CA 1.328 53.335 52.037 -0.049 0.000 0.622 708 A CB -1.538 17.431 19.000 -0.052 0.000 0.831 708 A HN 0.139 nan 8.150 nan 0.000 0.444 709 P HA -0.154 nan 4.420 nan 0.000 0.216 709 P C 1.580 178.844 177.300 -0.060 0.000 1.150 709 P CA 2.070 65.134 63.100 -0.061 0.000 0.843 709 P CB -0.061 31.596 31.700 -0.071 0.000 0.787 710 A N -1.367 121.417 122.820 -0.060 0.000 1.935 710 A HA -0.047 4.277 4.320 0.007 0.000 0.214 710 A C 2.134 179.688 177.584 -0.050 0.000 1.178 710 A CA 0.847 52.848 52.037 -0.060 0.000 0.640 710 A CB -1.411 17.550 19.000 -0.064 0.000 0.825 710 A HN 0.074 nan 8.150 nan 0.000 0.447 711 L N -0.318 120.878 121.223 -0.043 0.000 1.989 711 L HA -0.216 4.128 4.340 0.007 0.000 0.211 711 L C 2.498 179.344 176.870 -0.039 0.000 1.071 711 L CA 1.797 56.615 54.840 -0.037 0.000 0.749 711 L CB -0.419 41.621 42.059 -0.032 0.000 0.890 711 L HN 0.297 nan 8.230 nan 0.000 0.431 712 K N -0.250 120.126 120.400 -0.041 0.000 2.360 712 K HA -0.214 4.110 4.320 0.007 0.000 0.201 712 K C 2.064 178.638 176.600 -0.043 0.000 1.046 712 K CA 0.945 57.208 56.287 -0.040 0.000 0.945 712 K CB 0.045 32.522 32.500 -0.040 0.000 0.750 712 K HN 0.030 nan 8.250 nan 0.000 0.464 713 K N 1.109 121.480 120.400 -0.048 0.000 2.166 713 K HA 0.082 4.406 4.320 0.007 0.000 0.201 713 K C 0.456 177.027 176.600 -0.048 0.000 1.052 713 K CA 0.523 56.779 56.287 -0.052 0.000 0.969 713 K CB -0.090 32.373 32.500 -0.061 0.000 0.761 713 K HN 0.048 nan 8.250 nan 0.000 0.459 714 A N 0.998 123.791 122.820 -0.044 0.000 2.409 714 A HA 0.067 4.391 4.320 0.007 0.000 0.246 714 A C 0.825 178.387 177.584 -0.038 0.000 1.099 714 A CA 0.176 52.190 52.037 -0.039 0.000 0.789 714 A CB 0.014 18.993 19.000 -0.035 0.000 1.053 714 A HN 0.389 nan 8.150 nan 0.000 0.503 715 E N -0.852 119.327 120.200 -0.036 0.000 2.208 715 E HA 0.085 4.439 4.350 0.007 0.000 0.193 715 E C -0.370 176.205 176.600 -0.041 0.000 0.988 715 E CA 0.986 57.362 56.400 -0.039 0.000 0.828 715 E CB -0.087 29.588 29.700 -0.041 0.000 0.763 715 E HN 0.544 nan 8.360 nan 0.000 0.478 716 I N -0.136 120.410 120.570 -0.040 0.000 2.534 716 I HA 0.340 4.515 4.170 0.007 0.000 0.286 716 I C -0.132 175.962 176.117 -0.039 0.000 1.094 716 I CA -0.955 60.319 61.300 -0.042 0.000 1.055 716 I CB 2.277 40.248 38.000 -0.048 0.000 1.225 716 I HN -0.137 nan 8.210 nan 0.000 0.435 717 G N 7.183 115.960 108.800 -0.038 0.000 2.322 717 G HA2 0.726 4.691 3.960 0.007 0.000 0.309 717 G HA3 0.726 4.691 3.960 0.007 0.000 0.309 717 G C -0.583 174.297 174.900 -0.035 0.000 1.121 717 G CA -0.325 44.755 45.100 -0.034 0.000 0.886 717 G HN 0.520 nan 8.290 nan 0.000 0.447 718 I N 2.432 122.984 120.570 -0.031 0.000 2.420 718 I HA 0.420 4.595 4.170 0.007 0.000 0.282 718 I C 0.504 176.611 176.117 -0.018 0.000 1.019 718 I CA -0.655 60.624 61.300 -0.035 0.000 1.130 718 I CB 1.730 39.697 38.000 -0.056 0.000 1.262 718 I HN 0.537 nan 8.210 nan 0.000 0.454 719 A N 7.421 130.231 122.820 -0.017 0.000 2.282 719 A HA 0.805 5.130 4.320 0.007 0.000 0.319 719 A C 0.045 177.628 177.584 -0.002 0.000 1.121 719 A CA -0.652 51.381 52.037 -0.006 0.000 0.836 719 A CB 0.939 19.934 19.000 -0.009 0.000 1.146 719 A HN 0.581 nan 8.150 nan 0.000 0.494 720 M N 0.980 120.586 119.600 0.009 0.000 2.202 720 M HA 0.197 4.681 4.480 0.007 0.000 0.316 720 M C 1.617 177.919 176.300 0.004 0.000 1.138 720 M CA 0.284 55.591 55.300 0.013 0.000 1.151 720 M CB 0.470 33.083 32.600 0.022 0.000 1.422 720 M HN 0.880 nan 8.290 nan 0.000 0.471 721 G N 0.177 108.979 108.800 0.003 0.000 2.403 721 G HA2 -0.091 3.873 3.960 0.007 0.000 0.216 721 G HA3 -0.091 3.873 3.960 0.007 0.000 0.216 721 G C 1.185 176.086 174.900 0.001 0.000 1.154 721 G CA 0.357 45.456 45.100 -0.002 0.000 0.784 721 G HN 0.662 nan 8.290 nan 0.000 0.538 722 S N 0.502 116.204 115.700 0.005 0.000 2.593 722 S HA 0.290 4.764 4.470 0.007 0.000 0.217 722 S C 1.487 176.093 174.600 0.011 0.000 0.966 722 S CA 0.055 58.258 58.200 0.006 0.000 0.914 722 S CB 0.156 63.360 63.200 0.006 0.000 0.776 722 S HN 0.556 nan 8.310 nan 0.000 0.523 723 G N 1.970 110.777 108.800 0.012 0.000 2.611 723 G HA2 0.325 4.289 3.960 0.007 0.000 0.273 723 G HA3 0.325 4.289 3.960 0.007 0.000 0.273 723 G C 0.254 175.167 174.900 0.022 0.000 1.305 723 G CA -0.358 44.752 45.100 0.016 0.000 1.010 723 G HN 0.380 nan 8.290 nan 0.000 0.509 724 T N -2.766 111.807 114.554 0.032 0.000 2.898 724 T HA 0.446 4.800 4.350 0.007 0.000 0.301 724 T C 1.608 176.335 174.700 0.046 0.000 1.049 724 T CA 0.302 62.436 62.100 0.056 0.000 1.095 724 T CB 1.423 70.340 68.868 0.081 0.000 0.976 724 T HN 0.866 nan 8.240 nan 0.000 0.539 725 A N 1.857 124.709 122.820 0.054 0.000 1.865 725 A HA -0.038 4.287 4.320 0.007 0.000 0.217 725 A C 2.447 180.055 177.584 0.039 0.000 1.191 725 A CA 1.721 53.778 52.037 0.034 0.000 0.623 725 A CB -1.333 17.681 19.000 0.023 0.000 0.826 725 A HN 0.990 nan 8.150 nan 0.000 0.444 726 V N -0.106 119.852 119.914 0.073 0.000 2.380 726 V HA -0.235 3.889 4.120 0.007 0.000 0.251 726 V C 2.691 178.796 176.094 0.019 0.000 1.063 726 V CA 2.548 64.882 62.300 0.055 0.000 1.055 726 V CB -0.867 31.008 31.823 0.087 0.000 0.657 726 V HN 0.629 nan 8.190 nan 0.000 0.455 727 A N -0.494 122.335 122.820 0.015 0.000 1.873 727 A HA -0.197 4.127 4.320 0.007 0.000 0.215 727 A C 2.263 179.844 177.584 -0.005 0.000 1.186 727 A CA 1.934 53.969 52.037 -0.003 0.000 0.616 727 A CB -0.569 18.430 19.000 -0.002 0.000 0.823 727 A HN 0.598 nan 8.150 nan 0.000 0.442 728 K N -0.826 119.573 120.400 -0.000 0.000 2.009 728 K HA -0.130 4.194 4.320 0.007 0.000 0.210 728 K C 2.078 178.670 176.600 -0.014 0.000 1.049 728 K CA 1.884 58.167 56.287 -0.007 0.000 0.929 728 K CB -0.612 31.884 32.500 -0.005 0.000 0.714 728 K HN 0.459 nan 8.250 nan 0.000 0.440 729 T N 0.931 115.480 114.554 -0.009 0.000 2.849 729 T HA -0.150 4.205 4.350 0.007 0.000 0.270 729 T C 1.775 176.463 174.700 -0.021 0.000 1.066 729 T CA 1.412 63.503 62.100 -0.015 0.000 1.130 729 T CB -0.138 68.726 68.868 -0.008 0.000 0.864 729 T HN 0.347 nan 8.240 nan 0.000 0.481 730 A N 0.864 123.673 122.820 -0.019 0.000 2.178 730 A HA 0.324 4.649 4.320 0.007 0.000 0.211 730 A C 1.440 179.006 177.584 -0.029 0.000 1.157 730 A CA -0.062 51.960 52.037 -0.025 0.000 0.780 730 A CB 0.067 19.052 19.000 -0.025 0.000 0.828 730 A HN 0.395 nan 8.150 nan 0.000 0.476 731 S N -0.144 115.540 115.700 -0.028 0.000 2.652 731 S HA 0.341 4.815 4.470 0.007 0.000 0.270 731 S C 0.460 175.039 174.600 -0.036 0.000 1.243 731 S CA -0.327 57.855 58.200 -0.031 0.000 0.999 731 S CB 1.204 64.388 63.200 -0.027 0.000 0.973 731 S HN 0.373 nan 8.310 nan 0.000 0.544 732 E N 0.178 120.355 120.200 -0.038 0.000 2.364 732 E HA 0.274 4.629 4.350 0.007 0.000 0.196 732 E C 0.119 176.694 176.600 -0.041 0.000 0.990 732 E CA 0.374 56.749 56.400 -0.041 0.000 0.886 732 E CB 0.324 29.999 29.700 -0.042 0.000 0.866 732 E HN 0.495 nan 8.360 nan 0.000 0.493 733 M N 0.382 119.957 119.600 -0.041 0.000 2.433 733 M HA 0.406 4.890 4.480 0.007 0.000 0.290 733 M C -1.746 174.531 176.300 -0.039 0.000 1.173 733 M CA -0.800 54.475 55.300 -0.041 0.000 0.905 733 M CB 1.878 34.449 32.600 -0.048 0.000 1.692 733 M HN -0.271 nan 8.290 nan 0.000 0.462 734 V N 4.507 124.400 119.914 -0.036 0.000 2.715 734 V HA 0.501 4.626 4.120 0.007 0.000 0.310 734 V C -0.572 175.502 176.094 -0.032 0.000 1.054 734 V CA -0.792 61.489 62.300 -0.030 0.000 0.928 734 V CB 2.136 33.945 31.823 -0.024 0.000 1.007 734 V HN 0.771 nan 8.190 nan 0.000 0.437 735 L N 3.382 124.588 121.223 -0.028 0.000 2.314 735 L HA 0.375 4.719 4.340 0.007 0.000 0.275 735 L C 1.500 178.360 176.870 -0.016 0.000 1.068 735 L CA -0.350 54.473 54.840 -0.029 0.000 0.894 735 L CB 1.053 43.094 42.059 -0.029 0.000 1.275 735 L HN 0.892 nan 8.230 nan 0.000 0.432 736 A N 2.281 125.091 122.820 -0.017 0.000 2.024 736 A HA -0.188 4.136 4.320 0.007 0.000 0.220 736 A C 1.506 179.086 177.584 -0.007 0.000 1.164 736 A CA 1.887 53.917 52.037 -0.011 0.000 0.643 736 A CB -0.259 18.734 19.000 -0.012 0.000 0.806 736 A HN 0.839 nan 8.150 nan 0.000 0.451 737 D N -2.977 117.420 120.400 -0.006 0.000 2.431 737 D HA 0.107 4.752 4.640 0.007 0.000 0.213 737 D C -0.350 175.955 176.300 0.008 0.000 1.130 737 D CA 0.549 54.550 54.000 0.001 0.000 0.834 737 D CB -0.196 40.604 40.800 0.000 0.000 0.985 737 D HN 0.205 nan 8.370 nan 0.000 0.504 738 D N 0.114 120.520 120.400 0.010 0.000 3.006 738 D HA -0.168 4.476 4.640 0.007 0.000 0.208 738 D C -0.504 175.824 176.300 0.047 0.000 1.116 738 D CA 0.713 54.729 54.000 0.026 0.000 0.998 738 D CB -1.504 39.309 40.800 0.023 0.000 1.124 738 D HN 0.386 nan 8.370 nan 0.000 0.413 739 N N 0.183 118.904 118.700 0.035 0.000 2.406 739 N HA 0.103 4.847 4.740 0.007 0.000 0.251 739 N C 0.882 176.433 175.510 0.068 0.000 1.069 739 N CA -0.202 52.882 53.050 0.057 0.000 0.947 739 N CB 0.313 38.820 38.487 0.034 0.000 1.111 739 N HN 0.020 nan 8.380 nan 0.000 0.497 740 F N 2.672 122.612 119.950 -0.017 0.000 2.346 740 F HA -0.248 4.283 4.527 0.008 0.000 0.301 740 F C 2.416 178.206 175.800 -0.015 0.000 1.070 740 F CA 1.255 59.245 58.000 -0.018 0.000 1.407 740 F CB 0.101 39.088 39.000 -0.022 0.000 1.072 740 F HN 0.499 nan 8.300 nan 0.000 0.543 741 S N -1.438 114.298 115.700 0.060 0.000 2.423 741 S HA -0.194 4.280 4.470 0.007 0.000 0.231 741 S C 2.064 176.621 174.600 -0.072 0.000 1.014 741 S CA 1.239 59.443 58.200 0.006 0.000 0.965 741 S CB -1.396 61.825 63.200 0.035 0.000 0.785 741 S HN 0.531 nan 8.310 nan 0.000 0.495 742 T N -0.261 114.243 114.554 -0.085 0.000 3.113 742 T HA 0.207 4.561 4.350 0.007 0.000 0.263 742 T C 1.617 176.234 174.700 -0.140 0.000 1.143 742 T CA 0.544 62.592 62.100 -0.088 0.000 1.090 742 T CB -0.730 68.100 68.868 -0.063 0.000 0.922 742 T HN 0.472 nan 8.240 nan 0.000 0.521 743 I N 0.554 120.974 120.570 -0.249 0.000 2.286 743 I HA -0.081 4.093 4.170 0.007 0.000 0.245 743 I C 2.609 178.605 176.117 -0.202 0.000 1.104 743 I CA 0.610 61.733 61.300 -0.295 0.000 1.397 743 I CB -0.265 37.392 38.000 -0.572 0.000 1.072 743 I HN 0.139 nan 8.210 nan 0.000 0.417 744 V N 1.295 121.101 119.914 -0.181 0.000 2.252 744 V HA -0.358 3.766 4.120 0.007 0.000 0.249 744 V C 2.760 178.816 176.094 -0.062 0.000 1.056 744 V CA 2.222 64.466 62.300 -0.093 0.000 1.022 744 V CB -1.117 30.677 31.823 -0.048 0.000 0.641 744 V HN 0.511 nan 8.190 nan 0.000 0.445 745 A N -0.112 122.674 122.820 -0.058 0.000 1.908 745 A HA -0.165 4.159 4.320 0.007 0.000 0.218 745 A C 2.424 179.985 177.584 -0.038 0.000 1.181 745 A CA 2.334 54.349 52.037 -0.038 0.000 0.627 745 A CB -0.877 18.103 19.000 -0.033 0.000 0.818 745 A HN 0.618 nan 8.150 nan 0.000 0.445 746 A N -0.710 122.076 122.820 -0.056 0.000 1.933 746 A HA 0.004 4.328 4.320 0.007 0.000 0.218 746 A C 2.228 179.787 177.584 -0.042 0.000 1.175 746 A CA 1.770 53.777 52.037 -0.050 0.000 0.628 746 A CB -0.886 18.072 19.000 -0.069 0.000 0.814 746 A HN 0.397 nan 8.150 nan 0.000 0.444 747 V N -0.061 119.822 119.914 -0.053 0.000 2.343 747 V HA -0.275 3.850 4.120 0.007 0.000 0.247 747 V C 2.485 178.569 176.094 -0.017 0.000 1.051 747 V CA 2.352 64.627 62.300 -0.040 0.000 1.036 747 V CB -0.679 31.116 31.823 -0.046 0.000 0.654 747 V HN 0.797 nan 8.190 nan 0.000 0.451 748 E N 0.330 120.522 120.200 -0.014 0.000 2.012 748 E HA -0.329 4.025 4.350 0.007 0.000 0.197 748 E C 2.206 178.813 176.600 0.012 0.000 1.007 748 E CA 1.908 58.309 56.400 0.002 0.000 0.816 748 E CB -0.212 29.488 29.700 -0.000 0.000 0.762 748 E HN 0.570 nan 8.360 nan 0.000 0.451 749 E N -0.318 119.886 120.200 0.007 0.000 2.108 749 E HA -0.196 4.158 4.350 0.007 0.000 0.203 749 E C 1.857 178.473 176.600 0.027 0.000 1.022 749 E CA 1.926 58.335 56.400 0.016 0.000 0.823 749 E CB -0.798 28.907 29.700 0.007 0.000 0.744 749 E HN 0.410 nan 8.360 nan 0.000 0.456 750 G N -0.316 108.494 108.800 0.016 0.000 2.422 750 G HA2 -0.260 3.704 3.960 0.007 0.000 0.218 750 G HA3 -0.260 3.704 3.960 0.007 0.000 0.218 750 G C 1.613 176.547 174.900 0.056 0.000 1.140 750 G CA 0.733 45.847 45.100 0.023 0.000 0.775 750 G HN 0.174 nan 8.290 nan 0.000 0.545 751 R N 0.386 120.917 120.500 0.052 0.000 2.062 751 R HA 0.043 4.387 4.340 0.007 0.000 0.231 751 R C 3.100 179.463 176.300 0.104 0.000 1.136 751 R CA 1.168 57.323 56.100 0.091 0.000 0.948 751 R CB -0.476 29.860 30.300 0.060 0.000 0.845 751 R HN 0.314 nan 8.270 nan 0.000 0.430 752 A N 1.448 124.306 122.820 0.063 0.000 1.892 752 A HA -0.206 4.118 4.320 0.007 0.000 0.218 752 A C 2.183 179.797 177.584 0.050 0.000 1.188 752 A CA 1.582 53.649 52.037 0.049 0.000 0.631 752 A CB -0.696 18.330 19.000 0.044 0.000 0.822 752 A HN 0.235 nan 8.150 nan 0.000 0.447 753 I N -2.158 118.453 120.570 0.068 0.000 2.179 753 I HA -0.266 3.908 4.170 0.007 0.000 0.242 753 I C 2.486 178.640 176.117 0.061 0.000 1.088 753 I CA 1.802 63.142 61.300 0.068 0.000 1.357 753 I CB -0.528 37.521 38.000 0.081 0.000 1.051 753 I HN 0.525 nan 8.210 nan 0.000 0.409 754 Y N 2.651 122.924 120.300 -0.046 0.000 2.193 754 Y HA -0.302 4.252 4.550 0.007 0.000 0.285 754 Y C 2.304 178.140 175.900 -0.107 0.000 1.166 754 Y CA 1.530 59.586 58.100 -0.074 0.000 1.181 754 Y CB -0.552 37.879 38.460 -0.049 0.000 0.976 754 Y HN 0.231 nan 8.280 nan 0.000 0.520 755 N N 0.572 119.160 118.700 -0.187 0.000 2.022 755 N HA -0.190 4.554 4.740 0.007 0.000 0.194 755 N C 1.428 176.772 175.510 -0.276 0.000 1.057 755 N CA 1.663 54.549 53.050 -0.274 0.000 0.849 755 N CB -1.010 37.407 38.487 -0.117 0.000 1.044 755 N HN 0.350 nan 8.380 nan 0.000 0.424 756 N N 1.110 119.710 118.700 -0.167 0.000 2.096 756 N HA -0.164 4.580 4.740 0.007 0.000 0.195 756 N C 1.780 177.045 175.510 -0.408 0.000 1.017 756 N CA 1.086 54.039 53.050 -0.162 0.000 0.870 756 N CB -0.416 38.049 38.487 -0.037 0.000 1.024 756 N HN 0.361 nan 8.380 nan 0.000 0.434 757 M N 0.587 119.883 119.600 -0.508 0.000 2.080 757 M HA -0.146 4.339 4.480 0.007 0.000 0.260 757 M C 2.137 177.752 176.300 -1.142 0.000 1.068 757 M CA 1.399 56.039 55.300 -1.100 0.000 1.109 757 M CB -0.277 32.060 32.600 -0.439 0.000 1.342 757 M HN 0.099 nan 8.290 nan 0.000 0.405 758 K N -0.023 119.982 120.400 -0.658 0.000 2.152 758 K HA -0.249 4.075 4.320 0.007 0.000 0.206 758 K C 1.951 178.330 176.600 -0.370 0.000 1.048 758 K CA 1.531 57.517 56.287 -0.502 0.000 0.933 758 K CB 0.118 32.295 32.500 -0.539 0.000 0.721 758 K HN 0.190 nan 8.250 nan 0.000 0.447 759 Q N 0.019 119.604 119.800 -0.358 0.000 1.965 759 Q HA -0.120 4.224 4.340 0.007 0.000 0.200 759 Q C 1.794 177.765 176.000 -0.047 0.000 0.981 759 Q CA 1.894 57.605 55.803 -0.155 0.000 0.834 759 Q CB -0.438 28.238 28.738 -0.104 0.000 0.900 759 Q HN 0.498 nan 8.270 nan 0.000 0.426 760 F N -1.196 118.757 119.950 0.005 0.000 2.664 760 F HA 0.084 4.616 4.527 0.007 0.000 0.297 760 F C 1.190 177.019 175.800 0.048 0.000 1.164 760 F CA 0.443 58.493 58.000 0.083 0.000 1.472 760 F CB -0.669 38.348 39.000 0.028 0.000 1.108 760 F HN 0.038 nan 8.300 nan 0.000 0.596 761 I N -0.071 120.541 120.570 0.071 0.000 3.462 761 I HA 0.075 4.249 4.170 0.007 0.000 0.290 761 I C 2.011 178.078 176.117 -0.084 0.000 1.236 761 I CA 0.258 61.585 61.300 0.044 0.000 1.418 761 I CB -0.275 37.669 38.000 -0.095 0.000 1.102 761 I HN 0.021 nan 8.210 nan 0.000 0.441 762 R N -0.557 119.888 120.500 -0.092 0.000 2.312 762 R HA 0.015 4.360 4.340 0.007 0.000 0.205 762 R C 1.794 177.893 176.300 -0.335 0.000 0.904 762 R CA 0.350 56.325 56.100 -0.209 0.000 1.052 762 R CB 0.197 30.480 30.300 -0.030 0.000 1.014 762 R HN 0.349 nan 8.270 nan 0.000 0.503 763 Y N 0.291 120.469 120.300 -0.204 0.000 2.353 763 Y HA 0.068 4.622 4.550 0.007 0.000 0.294 763 Y C 1.672 177.495 175.900 -0.128 0.000 1.135 763 Y CA 0.423 58.428 58.100 -0.158 0.000 1.176 763 Y CB -0.127 38.319 38.460 -0.024 0.000 1.124 763 Y HN -0.081 nan 8.280 nan 0.000 0.537 764 L N 1.290 122.265 121.223 -0.413 0.000 2.376 764 L HA 0.005 4.350 4.340 0.007 0.000 0.219 764 L C 1.844 178.536 176.870 -0.296 0.000 1.133 764 L CA 1.604 56.170 54.840 -0.457 0.000 0.816 764 L CB -0.657 41.312 42.059 -0.150 0.000 0.933 764 L HN 0.537 nan 8.230 nan 0.000 0.449 765 I N -4.697 115.718 120.570 -0.259 0.000 3.339 765 I HA 0.064 4.238 4.170 0.007 0.000 0.285 765 I C 2.339 178.320 176.117 -0.226 0.000 1.201 765 I CA 0.814 62.000 61.300 -0.191 0.000 1.434 765 I CB -0.778 37.077 38.000 -0.241 0.000 1.152 765 I HN 0.171 nan 8.210 nan 0.000 0.443 766 S N 2.663 118.143 115.700 -0.366 0.000 2.365 766 S HA -0.273 4.201 4.470 0.007 0.000 0.225 766 S C 2.264 176.733 174.600 -0.217 0.000 1.039 766 S CA 1.987 59.962 58.200 -0.376 0.000 1.033 766 S CB -1.316 61.508 63.200 -0.627 0.000 0.887 766 S HN 0.742 nan 8.310 nan 0.000 0.447 767 S N 3.339 118.893 115.700 -0.243 0.000 2.374 767 S HA -0.280 4.194 4.470 0.007 0.000 0.227 767 S C 1.715 176.249 174.600 -0.111 0.000 1.037 767 S CA 1.639 59.735 58.200 -0.174 0.000 1.024 767 S CB -1.475 61.583 63.200 -0.237 0.000 0.861 767 S HN 0.781 nan 8.310 nan 0.000 0.456 768 N N 1.128 119.768 118.700 -0.100 0.000 2.272 768 N HA -0.059 4.686 4.740 0.007 0.000 0.185 768 N C 1.531 177.022 175.510 -0.032 0.000 1.014 768 N CA 1.269 54.292 53.050 -0.045 0.000 0.870 768 N CB -0.387 38.099 38.487 -0.000 0.000 0.975 768 N HN 0.333 nan 8.380 nan 0.000 0.433 769 V N 0.581 120.466 119.914 -0.047 0.000 2.548 769 V HA -0.081 4.043 4.120 0.007 0.000 0.249 769 V C 2.405 178.475 176.094 -0.041 0.000 1.055 769 V CA 1.805 64.080 62.300 -0.041 0.000 1.065 769 V CB -0.779 31.007 31.823 -0.061 0.000 0.681 769 V HN 0.379 nan 8.190 nan 0.000 0.462 770 G N -0.522 108.250 108.800 -0.046 0.000 2.396 770 G HA2 -0.133 3.831 3.960 0.007 0.000 0.214 770 G HA3 -0.133 3.831 3.960 0.007 0.000 0.214 770 G C 1.440 176.320 174.900 -0.033 0.000 1.166 770 G CA 0.406 45.483 45.100 -0.039 0.000 0.793 770 G HN 0.526 nan 8.290 nan 0.000 0.533 771 E N -0.044 120.136 120.200 -0.034 0.000 2.153 771 E HA -0.063 4.291 4.350 0.007 0.000 0.194 771 E C 2.590 179.184 176.600 -0.011 0.000 0.988 771 E CA 0.705 57.090 56.400 -0.024 0.000 0.811 771 E CB 0.056 29.741 29.700 -0.024 0.000 0.746 771 E HN 0.329 nan 8.360 nan 0.000 0.466 772 V N 0.287 120.195 119.914 -0.009 0.000 2.535 772 V HA -0.147 3.977 4.120 0.007 0.000 0.246 772 V C 2.172 178.295 176.094 0.048 0.000 1.045 772 V CA 0.845 63.147 62.300 0.004 0.000 1.058 772 V CB 0.066 31.877 31.823 -0.021 0.000 0.689 772 V HN 0.117 nan 8.190 nan 0.000 0.461 773 V N -0.419 119.518 119.914 0.038 0.000 2.358 773 V HA -0.288 3.836 4.120 0.007 0.000 0.246 773 V C 2.604 178.751 176.094 0.089 0.000 1.047 773 V CA 2.106 64.461 62.300 0.091 0.000 1.035 773 V CB -0.651 31.196 31.823 0.040 0.000 0.658 773 V HN 0.793 nan 8.190 nan 0.000 0.452 774 C N 0.325 119.640 119.300 0.026 0.000 2.413 774 C HA -0.175 4.289 4.460 0.007 0.000 0.277 774 C C 2.578 177.569 174.990 0.003 0.000 1.228 774 C CA 1.057 60.072 59.018 -0.005 0.000 1.731 774 C CB -0.967 26.756 27.740 -0.028 0.000 2.042 774 C HN 0.497 nan 8.230 nan 0.000 0.468 775 I N 0.489 121.071 120.570 0.019 0.000 2.163 775 I HA -0.066 4.108 4.170 0.007 0.000 0.240 775 I C 2.378 178.514 176.117 0.031 0.000 1.081 775 I CA 1.645 62.950 61.300 0.009 0.000 1.353 775 I CB -1.938 36.064 38.000 0.003 0.000 1.054 775 I HN 0.390 nan 8.210 nan 0.000 0.407 776 F N 1.668 121.578 119.950 -0.067 0.000 2.154 776 F HA -0.225 4.306 4.527 0.007 0.000 0.301 776 F C 2.306 178.079 175.800 -0.044 0.000 1.087 776 F CA 1.547 59.509 58.000 -0.064 0.000 1.274 776 F CB -0.408 38.562 39.000 -0.051 0.000 1.009 776 F HN -0.058 nan 8.300 nan 0.000 0.485 777 L N -0.915 120.211 121.223 -0.161 0.000 2.007 777 L HA -0.177 4.168 4.340 0.007 0.000 0.205 777 L C 2.244 179.004 176.870 -0.184 0.000 1.073 777 L CA 1.816 56.517 54.840 -0.231 0.000 0.744 777 L CB -1.211 40.795 42.059 -0.089 0.000 0.898 777 L HN 0.049 nan 8.230 nan 0.000 0.435 778 T N -0.875 113.620 114.554 -0.098 0.000 3.570 778 T HA 0.109 4.464 4.350 0.007 0.000 0.258 778 T C 0.769 175.459 174.700 -0.016 0.000 1.178 778 T CA 0.867 62.937 62.100 -0.051 0.000 1.002 778 T CB -0.171 68.679 68.868 -0.030 0.000 0.993 778 T HN 0.459 nan 8.240 nan 0.000 0.567 779 A N -0.942 121.827 122.820 -0.085 0.000 2.377 779 A HA 0.710 5.034 4.320 0.007 0.000 0.174 779 A C 1.889 179.419 177.584 -0.090 0.000 1.663 779 A CA 0.536 52.551 52.037 -0.037 0.000 1.219 779 A CB -0.445 18.435 19.000 -0.200 0.000 1.499 779 A HN 0.478 nan 8.150 nan 0.000 0.481 780 A N -0.258 122.387 122.820 -0.292 0.000 2.218 780 A HA 0.477 4.802 4.320 0.007 0.000 0.209 780 A C 1.628 179.101 177.584 -0.185 0.000 1.168 780 A CA 0.965 52.794 52.037 -0.346 0.000 0.804 780 A CB -0.329 18.217 19.000 -0.758 0.000 0.834 780 A HN 0.407 nan 8.150 nan 0.000 0.482 781 L N -3.017 118.129 121.223 -0.128 0.000 2.547 781 L HA 0.351 4.695 4.340 0.007 0.000 0.218 781 L C 1.747 178.589 176.870 -0.047 0.000 1.048 781 L CA 0.736 55.524 54.840 -0.088 0.000 0.859 781 L CB 0.104 42.110 42.059 -0.088 0.000 1.128 781 L HN 0.459 nan 8.230 nan 0.000 0.483 782 G N 0.643 109.449 108.800 0.010 0.000 2.201 782 G HA2 -0.195 3.769 3.960 0.007 0.000 0.212 782 G HA3 -0.195 3.769 3.960 0.007 0.000 0.212 782 G C 0.336 175.249 174.900 0.021 0.000 0.994 782 G CA -0.223 44.891 45.100 0.024 0.000 0.644 782 G HN 0.113 nan 8.290 nan 0.000 0.508 783 L N 0.781 122.014 121.223 0.017 0.000 2.503 783 L HA 0.289 4.633 4.340 0.007 0.000 0.287 783 L C -1.729 175.172 176.870 0.052 0.000 1.252 783 L CA -1.327 53.523 54.840 0.016 0.000 0.835 783 L CB -0.335 41.711 42.059 -0.022 0.000 1.099 783 L HN -0.051 nan 8.230 nan 0.000 0.516 784 P HA 0.063 nan 4.420 nan 0.000 0.271 784 P C -0.966 176.344 177.300 0.016 0.000 1.216 784 P CA -0.474 62.663 63.100 0.061 0.000 0.771 784 P CB 0.413 32.137 31.700 0.040 0.000 0.864 785 E N 1.900 122.136 120.200 0.060 0.000 2.480 785 E HA 0.151 4.505 4.350 0.007 0.000 0.258 785 E C 0.233 176.822 176.600 -0.018 0.000 0.984 785 E CA -0.405 56.013 56.400 0.029 0.000 0.930 785 E CB 0.361 30.093 29.700 0.053 0.000 0.936 785 E HN 0.375 nan 8.360 nan 0.000 0.466 786 A N 4.819 127.615 122.820 -0.039 0.000 2.195 786 A HA 0.216 4.541 4.320 0.007 0.000 0.210 786 A C 0.432 177.991 177.584 -0.041 0.000 1.165 786 A CA 0.044 52.043 52.037 -0.063 0.000 0.806 786 A CB 0.154 19.107 19.000 -0.078 0.000 0.847 786 A HN 0.589 nan 8.150 nan 0.000 0.482 787 L N 0.907 122.119 121.223 -0.019 0.000 2.505 787 L HA 0.503 4.847 4.340 0.007 0.000 0.266 787 L C -1.095 175.783 176.870 0.014 0.000 0.954 787 L CA -0.623 54.217 54.840 0.001 0.000 0.852 787 L CB 2.199 44.257 42.059 -0.001 0.000 1.282 787 L HN 0.302 nan 8.230 nan 0.000 0.403 788 I N 0.270 120.857 120.570 0.029 0.000 2.493 788 I HA 0.473 4.648 4.170 0.007 0.000 0.298 788 I C -1.628 174.516 176.117 0.046 0.000 0.998 788 I CA -2.128 59.190 61.300 0.030 0.000 1.137 788 I CB 1.648 39.662 38.000 0.023 0.000 1.310 788 I HN 0.351 nan 8.210 nan 0.000 0.445 789 P HA -0.254 nan 4.420 nan 0.000 0.220 789 P C 1.696 179.045 177.300 0.080 0.000 1.155 789 P CA 1.572 64.701 63.100 0.048 0.000 0.880 789 P CB 0.028 31.748 31.700 0.032 0.000 0.790 790 V N 0.636 120.589 119.914 0.065 0.000 2.278 790 V HA -0.285 3.839 4.120 0.007 0.000 0.251 790 V C 2.833 179.058 176.094 0.219 0.000 1.062 790 V CA 2.377 64.724 62.300 0.079 0.000 1.038 790 V CB -1.591 30.200 31.823 -0.053 0.000 0.646 790 V HN 0.219 nan 8.190 nan 0.000 0.447 791 Q N -0.576 119.360 119.800 0.227 0.000 2.137 791 Q HA 0.042 4.386 4.340 0.007 0.000 0.198 791 Q C 2.136 178.291 176.000 0.258 0.000 0.960 791 Q CA 0.914 56.916 55.803 0.332 0.000 0.847 791 Q CB -0.168 28.718 28.738 0.248 0.000 0.915 791 Q HN 0.527 nan 8.270 nan 0.000 0.448 792 L N 0.665 121.985 121.223 0.163 0.000 2.642 792 L HA -0.104 4.240 4.340 0.007 0.000 0.236 792 L C 1.626 178.568 176.870 0.121 0.000 1.169 792 L CA 0.204 55.113 54.840 0.114 0.000 0.851 792 L CB -0.092 42.005 42.059 0.065 0.000 0.968 792 L HN 0.291 nan 8.230 nan 0.000 0.453 793 L N -2.527 118.804 121.223 0.180 0.000 2.425 793 L HA -0.004 4.341 4.340 0.007 0.000 0.215 793 L C 1.951 178.931 176.870 0.182 0.000 1.065 793 L CA 1.058 55.991 54.840 0.155 0.000 0.842 793 L CB -0.642 41.513 42.059 0.160 0.000 1.033 793 L HN 0.359 nan 8.230 nan 0.000 0.474 794 W N 0.492 121.862 121.300 0.117 0.000 2.407 794 W HA -0.133 4.532 4.660 0.007 0.000 0.305 794 W C 2.424 178.973 176.519 0.051 0.000 1.196 794 W CA 1.485 58.887 57.345 0.095 0.000 1.311 794 W CB -0.161 29.358 29.460 0.099 0.000 1.135 794 W HN -0.195 nan 8.180 nan 0.000 0.514 795 V N 1.285 121.388 119.914 0.315 0.000 2.332 795 V HA -0.372 3.753 4.120 0.007 0.000 0.248 795 V C 1.959 178.077 176.094 0.041 0.000 1.055 795 V CA 2.213 64.618 62.300 0.174 0.000 1.038 795 V CB -0.913 30.991 31.823 0.136 0.000 0.651 795 V HN 0.243 nan 8.190 nan 0.000 0.450 796 N N -0.496 118.214 118.700 0.018 0.000 2.376 796 N HA -0.020 4.724 4.740 0.007 0.000 0.177 796 N C 1.600 177.061 175.510 -0.083 0.000 1.024 796 N CA 0.831 53.857 53.050 -0.041 0.000 0.893 796 N CB -0.038 38.433 38.487 -0.026 0.000 0.980 796 N HN 0.377 nan 8.380 nan 0.000 0.439 797 L N 0.011 121.166 121.223 -0.113 0.000 2.168 797 L HA 0.108 4.452 4.340 0.007 0.000 0.203 797 L C 1.633 178.345 176.870 -0.263 0.000 1.078 797 L CA 0.910 55.644 54.840 -0.177 0.000 0.780 797 L CB 0.057 42.004 42.059 -0.187 0.000 0.939 797 L HN -0.166 nan 8.230 nan 0.000 0.451 798 V N -2.164 117.509 119.914 -0.402 0.000 3.654 798 V HA -0.051 4.073 4.120 0.007 0.000 0.204 798 V C 2.138 178.087 176.094 -0.242 0.000 1.135 798 V CA 1.098 63.123 62.300 -0.457 0.000 1.368 798 V CB -0.196 31.036 31.823 -0.985 0.000 1.519 798 V HN 0.334 nan 8.190 nan 0.000 0.496 799 T N 0.553 115.005 114.554 -0.169 0.000 2.840 799 T HA -0.361 3.993 4.350 0.007 0.000 0.255 799 T C 1.241 175.959 174.700 0.029 0.000 1.037 799 T CA 2.506 64.636 62.100 0.049 0.000 1.162 799 T CB -0.436 68.544 68.868 0.186 0.000 0.833 799 T HN 0.519 nan 8.240 nan 0.000 0.486 800 D N 0.068 120.461 120.400 -0.011 0.000 2.394 800 D HA 0.177 4.821 4.640 0.007 0.000 0.226 800 D C 2.421 178.729 176.300 0.013 0.000 0.990 800 D CA 0.860 54.870 54.000 0.016 0.000 0.902 800 D CB -0.691 40.058 40.800 -0.085 0.000 1.038 800 D HN 0.469 nan 8.370 nan 0.000 0.499 801 G N 2.727 111.484 108.800 -0.072 0.000 2.672 801 G HA2 -0.265 3.699 3.960 0.007 0.000 0.218 801 G HA3 -0.265 3.699 3.960 0.007 0.000 0.218 801 G C 1.601 176.451 174.900 -0.083 0.000 1.238 801 G CA 0.595 45.630 45.100 -0.108 0.000 0.791 801 G HN 0.155 nan 8.290 nan 0.000 0.606 802 L N 1.543 122.727 121.223 -0.066 0.000 2.021 802 L HA -0.093 4.252 4.340 0.007 0.000 0.215 802 L C 0.587 177.455 176.870 -0.003 0.000 1.074 802 L CA 2.244 57.066 54.840 -0.030 0.000 0.760 802 L CB -2.239 39.815 42.059 -0.009 0.000 0.889 802 L HN 0.223 nan 8.230 nan 0.000 0.433 803 P HA -0.092 nan 4.420 nan 0.000 0.213 803 P C 1.766 179.069 177.300 0.005 0.000 1.170 803 P CA 1.830 64.946 63.100 0.027 0.000 0.893 803 P CB -0.087 31.665 31.700 0.088 0.000 0.784 804 A N -0.773 122.137 122.820 0.149 0.000 1.915 804 A HA -0.285 4.039 4.320 0.007 0.000 0.220 804 A C 2.265 179.777 177.584 -0.120 0.000 1.198 804 A CA 2.937 55.066 52.037 0.153 0.000 0.647 804 A CB -2.124 16.957 19.000 0.135 0.000 0.825 804 A HN 0.204 nan 8.150 nan 0.000 0.456 805 T N -0.281 114.127 114.554 -0.244 0.000 2.962 805 T HA 0.146 4.501 4.350 0.007 0.000 0.270 805 T C 2.027 176.496 174.700 -0.385 0.000 1.088 805 T CA 1.130 62.995 62.100 -0.391 0.000 1.127 805 T CB -0.276 68.402 68.868 -0.317 0.000 0.883 805 T HN 0.631 nan 8.240 nan 0.000 0.493 806 A N 1.158 123.877 122.820 -0.169 0.000 2.014 806 A HA 0.136 4.461 4.320 0.007 0.000 0.218 806 A C 2.167 179.715 177.584 -0.060 0.000 1.163 806 A CA 0.791 52.803 52.037 -0.041 0.000 0.652 806 A CB -0.613 18.449 19.000 0.104 0.000 0.808 806 A HN 0.479 nan 8.150 nan 0.000 0.449 807 L N -0.602 120.588 121.223 -0.055 0.000 2.201 807 L HA -0.103 4.241 4.340 0.007 0.000 0.212 807 L C 2.668 179.553 176.870 0.025 0.000 1.105 807 L CA 0.817 55.665 54.840 0.013 0.000 0.775 807 L CB -0.665 41.424 42.059 0.051 0.000 0.913 807 L HN 0.479 nan 8.230 nan 0.000 0.440 808 G N -0.191 108.576 108.800 -0.054 0.000 2.501 808 G HA2 -0.245 3.719 3.960 0.007 0.000 0.220 808 G HA3 -0.245 3.719 3.960 0.007 0.000 0.220 808 G C 0.931 175.755 174.900 -0.126 0.000 1.114 808 G CA 0.289 45.343 45.100 -0.077 0.000 0.757 808 G HN 0.289 nan 8.290 nan 0.000 0.559 809 F N 0.747 120.727 119.950 0.051 0.000 2.645 809 F HA 0.331 4.863 4.527 0.007 0.000 0.300 809 F C 0.545 176.372 175.800 0.046 0.000 1.115 809 F CA -1.878 56.126 58.000 0.006 0.000 1.355 809 F CB -0.856 38.107 39.000 -0.063 0.000 1.026 809 F HN -0.127 nan 8.300 nan 0.000 0.536 810 N N 3.888 122.690 118.700 0.169 0.000 2.359 810 N HA -0.010 4.734 4.740 0.007 0.000 0.261 810 N C -2.391 173.186 175.510 0.111 0.000 1.267 810 N CA -1.027 52.093 53.050 0.116 0.000 0.864 810 N CB 0.092 38.610 38.487 0.052 0.000 1.063 810 N HN -0.007 nan 8.380 nan 0.000 0.474 811 P HA 0.004 nan 4.420 nan 0.000 0.260 811 P C -2.417 174.920 177.300 0.063 0.000 1.185 811 P CA -0.727 62.426 63.100 0.088 0.000 0.763 811 P CB -0.269 31.482 31.700 0.085 0.000 0.776 812 P HA -0.001 nan 4.420 nan 0.000 0.263 812 P C -0.033 177.288 177.300 0.035 0.000 1.195 812 P CA 0.273 63.398 63.100 0.041 0.000 0.762 812 P CB 0.372 32.097 31.700 0.041 0.000 0.799 813 D N 2.895 123.311 120.400 0.027 0.000 2.478 813 D HA -0.010 4.634 4.640 0.007 0.000 0.234 813 D C -0.187 176.128 176.300 0.024 0.000 1.154 813 D CA -0.004 54.011 54.000 0.024 0.000 0.874 813 D CB 0.395 41.206 40.800 0.018 0.000 1.198 813 D HN 0.250 nan 8.370 nan 0.000 0.455 814 L N 2.571 123.808 121.223 0.023 0.000 2.418 814 L HA 0.183 4.528 4.340 0.007 0.000 0.265 814 L C 0.103 176.983 176.870 0.018 0.000 1.143 814 L CA -0.114 54.739 54.840 0.021 0.000 0.809 814 L CB 0.651 42.723 42.059 0.021 0.000 1.124 814 L HN 0.847 nan 8.230 nan 0.000 0.456 815 D N 2.443 122.853 120.400 0.017 0.000 2.716 815 D HA -0.254 4.391 4.640 0.007 0.000 0.239 815 D C 0.303 176.613 176.300 0.016 0.000 1.125 815 D CA 0.830 54.839 54.000 0.015 0.000 0.681 815 D CB -0.865 39.943 40.800 0.013 0.000 1.070 815 D HN 0.528 nan 8.370 nan 0.000 0.432 816 I N -0.517 120.063 120.570 0.018 0.000 3.968 816 I HA 0.075 4.249 4.170 0.007 0.000 0.328 816 I C 1.000 177.129 176.117 0.020 0.000 1.290 816 I CA -0.099 61.214 61.300 0.021 0.000 1.163 816 I CB 0.103 38.118 38.000 0.024 0.000 1.024 816 I HN 0.131 nan 8.210 nan 0.000 0.413 817 M N -0.012 119.598 119.600 0.016 0.000 2.475 817 M HA 0.207 4.691 4.480 0.007 0.000 0.261 817 M C -0.292 176.016 176.300 0.014 0.000 1.177 817 M CA 0.615 55.924 55.300 0.014 0.000 0.979 817 M CB -0.677 31.930 32.600 0.012 0.000 1.482 817 M HN 0.051 nan 8.290 nan 0.000 0.484 818 D N 0.026 120.434 120.400 0.014 0.000 2.599 818 D HA 0.209 4.854 4.640 0.007 0.000 0.249 818 D C -0.137 176.171 176.300 0.013 0.000 1.313 818 D CA 0.024 54.031 54.000 0.013 0.000 0.815 818 D CB 0.929 41.736 40.800 0.011 0.000 1.077 818 D HN 0.116 nan 8.370 nan 0.000 0.492 819 R N 1.270 121.779 120.500 0.015 0.000 2.670 819 R HA 0.470 4.814 4.340 0.007 0.000 0.289 819 R C -2.460 173.851 176.300 0.017 0.000 0.965 819 R CA -1.776 54.334 56.100 0.016 0.000 0.899 819 R CB 1.694 32.006 30.300 0.020 0.000 1.173 819 R HN -0.029 nan 8.270 nan 0.000 0.456 820 P HA 0.128 nan 4.420 nan 0.000 0.274 820 P C -2.523 174.788 177.300 0.019 0.000 1.260 820 P CA -1.254 61.855 63.100 0.015 0.000 0.793 820 P CB -0.201 31.506 31.700 0.012 0.000 1.048 821 P HA 0.186 nan 4.420 nan 0.000 0.271 821 P C 0.155 177.468 177.300 0.022 0.000 1.216 821 P CA 0.016 63.123 63.100 0.012 0.000 0.771 821 P CB 0.271 31.970 31.700 -0.001 0.000 0.864 822 R N 1.759 122.282 120.500 0.038 0.000 2.538 822 R HA 0.066 4.411 4.340 0.007 0.000 0.282 822 R C 0.596 176.915 176.300 0.032 0.000 1.009 822 R CA 0.357 56.498 56.100 0.069 0.000 1.063 822 R CB -0.150 30.251 30.300 0.168 0.000 0.945 822 R HN 0.405 nan 8.270 nan 0.000 0.414 823 S N 3.930 119.654 115.700 0.041 0.000 2.528 823 S HA 0.175 4.649 4.470 0.007 0.000 0.277 823 S C -1.392 173.225 174.600 0.027 0.000 1.297 823 S CA -1.452 56.764 58.200 0.027 0.000 1.052 823 S CB 0.861 64.078 63.200 0.028 0.000 0.917 823 S HN 0.312 nan 8.310 nan 0.000 0.492 824 P HA -0.091 nan 4.420 nan 0.000 0.218 824 P C 1.117 178.430 177.300 0.021 0.000 1.148 824 P CA 0.952 64.055 63.100 0.004 0.000 0.822 824 P CB 0.160 31.857 31.700 -0.005 0.000 0.784 825 K N 0.214 120.628 120.400 0.022 0.000 2.147 825 K HA -0.138 4.186 4.320 0.007 0.000 0.205 825 K C 0.949 177.564 176.600 0.024 0.000 1.049 825 K CA 0.549 56.849 56.287 0.021 0.000 0.936 825 K CB -0.996 31.515 32.500 0.019 0.000 0.722 825 K HN 0.394 nan 8.250 nan 0.000 0.446 826 E N 3.710 123.931 120.200 0.034 0.000 2.603 826 E HA -0.038 4.316 4.350 0.007 0.000 0.242 826 E C -2.098 174.528 176.600 0.043 0.000 1.083 826 E CA -1.209 55.215 56.400 0.040 0.000 0.950 826 E CB 0.288 30.023 29.700 0.058 0.000 0.952 826 E HN 0.017 nan 8.360 nan 0.000 0.498 827 P HA -0.006 nan 4.420 nan 0.000 0.275 827 P C 0.829 178.136 177.300 0.012 0.000 1.228 827 P CA -0.142 62.964 63.100 0.010 0.000 0.786 827 P CB 1.046 32.735 31.700 -0.018 0.000 0.927 828 L N 1.459 122.682 121.223 0.000 0.000 2.131 828 L HA 0.008 4.352 4.340 0.007 0.000 0.210 828 L C 1.119 178.006 176.870 0.028 0.000 1.092 828 L CA 1.431 56.262 54.840 -0.014 0.000 0.759 828 L CB -0.316 41.708 42.059 -0.058 0.000 0.903 828 L HN 0.358 nan 8.230 nan 0.000 0.435 829 I N -0.055 120.542 120.570 0.044 0.000 2.468 829 I HA 0.223 4.398 4.170 0.007 0.000 0.284 829 I C -0.702 175.466 176.117 0.086 0.000 1.038 829 I CA -0.168 61.214 61.300 0.136 0.000 1.083 829 I CB 1.685 39.829 38.000 0.241 0.000 1.223 829 I HN -0.004 nan 8.210 nan 0.000 0.443 830 S N 3.359 119.109 115.700 0.084 0.000 2.552 830 S HA 0.923 5.397 4.470 0.007 0.000 0.272 830 S C -0.172 174.489 174.600 0.102 0.000 1.150 830 S CA -0.154 58.040 58.200 -0.010 0.000 0.849 830 S CB 2.055 65.212 63.200 -0.071 0.000 1.113 830 S HN 1.273 nan 8.310 nan 0.000 0.458 831 G N 2.114 110.985 108.800 0.117 0.000 2.520 831 G HA2 -0.303 3.661 3.960 0.007 0.000 0.248 831 G HA3 -0.303 3.661 3.960 0.007 0.000 0.248 831 G C 0.602 175.685 174.900 0.306 0.000 1.161 831 G CA 0.218 45.431 45.100 0.188 0.000 0.946 831 G HN 1.312 nan 8.290 nan 0.000 0.565 832 W N 0.439 121.808 121.300 0.115 0.000 2.467 832 W HA 0.172 4.837 4.660 0.007 0.000 0.275 832 W C 2.128 178.723 176.519 0.126 0.000 1.239 832 W CA 1.668 59.095 57.345 0.136 0.000 1.266 832 W CB -0.093 29.419 29.460 0.087 0.000 1.112 832 W HN 0.460 nan 8.180 nan 0.000 0.576 833 L N 0.579 121.863 121.223 0.102 0.000 2.291 833 L HA -0.075 4.269 4.340 0.007 0.000 0.214 833 L C 2.151 178.978 176.870 -0.072 0.000 1.120 833 L CA 1.502 56.263 54.840 -0.133 0.000 0.799 833 L CB -1.306 40.732 42.059 -0.036 0.000 0.925 833 L HN -0.089 nan 8.230 nan 0.000 0.446 834 F N -1.308 118.628 119.950 -0.024 0.000 2.234 834 F HA -0.173 4.359 4.527 0.007 0.000 0.299 834 F C 2.034 177.856 175.800 0.035 0.000 1.087 834 F CA 1.162 59.195 58.000 0.055 0.000 1.340 834 F CB -0.297 38.752 39.000 0.081 0.000 1.031 834 F HN 0.188 nan 8.300 nan 0.000 0.500 835 F N 0.649 120.456 119.950 -0.238 0.000 2.262 835 F HA 0.097 4.628 4.527 0.007 0.000 0.292 835 F C 2.646 178.122 175.800 -0.542 0.000 1.081 835 F CA 1.250 58.998 58.000 -0.419 0.000 1.355 835 F CB -0.666 38.071 39.000 -0.439 0.000 1.069 835 F HN -0.163 nan 8.300 nan 0.000 0.506 836 R N -1.088 118.985 120.500 -0.710 0.000 2.105 836 R HA -0.229 4.115 4.340 0.007 0.000 0.239 836 R C 1.921 177.934 176.300 -0.478 0.000 1.135 836 R CA 2.063 57.725 56.100 -0.730 0.000 0.967 836 R CB -0.527 29.341 30.300 -0.719 0.000 0.861 836 R HN 0.312 nan 8.270 nan 0.000 0.442 837 Y N -0.764 119.359 120.300 -0.294 0.000 2.420 837 Y HA -0.008 4.546 4.550 0.007 0.000 0.292 837 Y C 1.924 177.647 175.900 -0.297 0.000 1.119 837 Y CA 0.646 58.613 58.100 -0.223 0.000 1.229 837 Y CB -0.256 38.118 38.460 -0.142 0.000 1.026 837 Y HN 0.110 nan 8.280 nan 0.000 0.554 838 M N 0.055 119.481 119.600 -0.290 0.000 2.374 838 M HA 0.009 4.494 4.480 0.007 0.000 0.264 838 M C 1.877 177.936 176.300 -0.403 0.000 1.067 838 M CA 1.533 56.601 55.300 -0.386 0.000 1.103 838 M CB -0.287 32.030 32.600 -0.473 0.000 1.402 838 M HN 0.117 nan 8.290 nan 0.000 0.444 839 A N -0.051 122.461 122.820 -0.514 0.000 1.881 839 A HA 0.116 4.440 4.320 0.007 0.000 0.210 839 A C 1.793 179.257 177.584 -0.201 0.000 1.239 839 A CA 0.792 52.552 52.037 -0.461 0.000 0.629 839 A CB -0.552 18.064 19.000 -0.641 0.000 0.906 839 A HN 0.432 nan 8.150 nan 0.000 0.460 840 I N 0.966 121.452 120.570 -0.141 0.000 2.657 840 I HA -0.167 4.007 4.170 0.007 0.000 0.261 840 I C 2.314 178.461 176.117 0.050 0.000 1.212 840 I CA 1.318 62.623 61.300 0.008 0.000 1.453 840 I CB -1.959 36.083 38.000 0.069 0.000 1.092 840 I HN 0.367 nan 8.210 nan 0.000 0.452 841 G N 0.796 109.583 108.800 -0.021 0.000 2.404 841 G HA2 -0.073 3.891 3.960 0.007 0.000 0.213 841 G HA3 -0.073 3.891 3.960 0.007 0.000 0.213 841 G C 1.732 176.621 174.900 -0.018 0.000 1.189 841 G CA 0.620 45.702 45.100 -0.029 0.000 0.796 841 G HN 0.420 nan 8.290 nan 0.000 0.532 842 G N -0.161 108.620 108.800 -0.031 0.000 2.422 842 G HA2 -0.257 3.707 3.960 0.007 0.000 0.218 842 G HA3 -0.257 3.707 3.960 0.007 0.000 0.218 842 G C 1.614 176.536 174.900 0.036 0.000 1.146 842 G CA 1.175 46.271 45.100 -0.007 0.000 0.769 842 G HN 0.388 nan 8.290 nan 0.000 0.547 843 Y N 2.096 122.355 120.300 -0.069 0.000 2.070 843 Y HA -0.234 4.321 4.550 0.007 0.000 0.280 843 Y C 2.869 178.746 175.900 -0.039 0.000 1.148 843 Y CA 2.243 60.311 58.100 -0.052 0.000 1.125 843 Y CB -0.637 37.789 38.460 -0.056 0.000 0.975 843 Y HN 0.135 nan 8.280 nan 0.000 0.492 844 V N -1.487 118.345 119.914 -0.136 0.000 2.667 844 V HA 0.009 4.134 4.120 0.007 0.000 0.252 844 V C 2.361 178.362 176.094 -0.155 0.000 1.065 844 V CA 1.715 63.880 62.300 -0.225 0.000 1.083 844 V CB -1.746 30.029 31.823 -0.080 0.000 0.692 844 V HN 0.449 nan 8.190 nan 0.000 0.468 845 G N -0.419 108.331 108.800 -0.085 0.000 2.498 845 G HA2 0.077 4.041 3.960 0.007 0.000 0.219 845 G HA3 0.077 4.041 3.960 0.007 0.000 0.219 845 G C 1.406 176.266 174.900 -0.066 0.000 1.119 845 G CA 1.154 46.223 45.100 -0.051 0.000 0.766 845 G HN 0.860 nan 8.290 nan 0.000 0.552 846 A N 0.707 123.463 122.820 -0.108 0.000 2.010 846 A HA 0.646 4.971 4.320 0.007 0.000 0.210 846 A C 2.568 180.052 177.584 -0.168 0.000 1.479 846 A CA 1.234 53.207 52.037 -0.107 0.000 0.748 846 A CB -0.817 18.140 19.000 -0.071 0.000 1.125 846 A HN 0.734 nan 8.150 nan 0.000 0.522 847 A N 0.290 122.927 122.820 -0.304 0.000 2.298 847 A HA -0.101 4.223 4.320 0.007 0.000 0.215 847 A C 2.019 179.459 177.584 -0.241 0.000 1.193 847 A CA 2.474 54.301 52.037 -0.349 0.000 0.697 847 A CB -1.122 17.459 19.000 -0.699 0.000 0.774 847 A HN 0.758 nan 8.150 nan 0.000 0.492 848 T N -4.592 109.850 114.554 -0.186 0.000 3.046 848 T HA 0.078 4.433 4.350 0.007 0.000 0.242 848 T C 1.599 176.235 174.700 -0.107 0.000 1.018 848 T CA 0.897 62.914 62.100 -0.139 0.000 1.131 848 T CB -0.429 68.371 68.868 -0.113 0.000 0.904 848 T HN 0.045 nan 8.240 nan 0.000 0.459 849 V N 2.083 121.941 119.914 -0.093 0.000 2.453 849 V HA 0.110 4.235 4.120 0.007 0.000 0.247 849 V C 3.023 179.079 176.094 -0.063 0.000 1.048 849 V CA 1.756 64.012 62.300 -0.074 0.000 1.049 849 V CB -1.328 30.456 31.823 -0.065 0.000 0.672 849 V HN 0.663 nan 8.190 nan 0.000 0.457 850 G N -0.169 108.592 108.800 -0.064 0.000 2.443 850 G HA2 -0.149 3.815 3.960 0.007 0.000 0.219 850 G HA3 -0.149 3.815 3.960 0.007 0.000 0.219 850 G C 1.658 176.559 174.900 0.002 0.000 1.131 850 G CA 0.878 45.958 45.100 -0.033 0.000 0.775 850 G HN 0.594 nan 8.290 nan 0.000 0.547 851 A N 0.724 123.516 122.820 -0.046 0.000 2.067 851 A HA 0.427 4.751 4.320 0.007 0.000 0.219 851 A C 2.644 180.274 177.584 0.077 0.000 1.158 851 A CA 1.806 53.815 52.037 -0.047 0.000 0.661 851 A CB -0.349 18.556 19.000 -0.158 0.000 0.801 851 A HN 0.589 nan 8.150 nan 0.000 0.452 852 A N -0.185 122.648 122.820 0.022 0.000 1.898 852 A HA 0.364 4.688 4.320 0.007 0.000 0.214 852 A C 2.176 179.787 177.584 0.044 0.000 1.183 852 A CA 1.270 53.303 52.037 -0.008 0.000 0.622 852 A CB -0.737 18.188 19.000 -0.125 0.000 0.824 852 A HN 1.017 nan 8.150 nan 0.000 0.444 853 A N -2.320 120.529 122.820 0.047 0.000 2.261 853 A HA 0.126 4.451 4.320 0.007 0.000 0.208 853 A C 1.412 179.103 177.584 0.179 0.000 1.223 853 A CA 0.745 52.818 52.037 0.060 0.000 0.833 853 A CB -0.886 18.109 19.000 -0.009 0.000 0.830 853 A HN 0.859 nan 8.150 nan 0.000 0.483 854 W N -2.141 119.207 121.300 0.081 0.000 2.907 854 W HA 0.160 4.824 4.660 0.007 0.000 0.271 854 W C 1.349 177.999 176.519 0.218 0.000 1.253 854 W CA 0.046 57.471 57.345 0.134 0.000 1.501 854 W CB 0.041 29.558 29.460 0.095 0.000 1.047 854 W HN 0.471 nan 8.180 nan 0.000 0.610 855 W N 0.335 121.815 121.300 0.300 0.000 3.278 855 W HA 0.100 4.764 4.660 0.007 0.000 0.308 855 W C 0.147 176.832 176.519 0.278 0.000 1.253 855 W CA 0.259 57.713 57.345 0.182 0.000 1.759 855 W CB -0.114 29.580 29.460 0.389 0.000 1.093 855 W HN -0.086 nan 8.180 nan 0.000 0.648 856 F N -0.569 119.299 119.950 -0.137 0.000 2.495 856 F HA 0.075 4.606 4.527 0.007 0.000 0.272 856 F C 2.280 177.910 175.800 -0.282 0.000 0.919 856 F CA 0.603 58.457 58.000 -0.243 0.000 1.178 856 F CB -0.892 38.013 39.000 -0.159 0.000 1.030 856 F HN -0.357 nan 8.300 nan 0.000 0.777 857 M N -0.827 118.751 119.600 -0.036 0.000 2.095 857 M HA -0.081 4.403 4.480 0.007 0.000 0.257 857 M C 1.781 177.982 176.300 -0.164 0.000 1.089 857 M CA 1.595 56.782 55.300 -0.187 0.000 1.138 857 M CB -1.686 30.714 32.600 -0.334 0.000 1.303 857 M HN 0.141 nan 8.290 nan 0.000 0.422 858 Y N 1.676 121.816 120.300 -0.266 0.000 2.519 858 Y HA 0.406 4.960 4.550 0.007 0.000 0.311 858 Y C 0.689 176.272 175.900 -0.527 0.000 1.207 858 Y CA -0.757 57.161 58.100 -0.303 0.000 1.289 858 Y CB -0.660 37.668 38.460 -0.221 0.000 1.059 858 Y HN 0.230 nan 8.280 nan 0.000 0.507 859 A N 0.858 123.373 122.820 -0.510 0.000 2.573 859 A HA -0.050 4.274 4.320 0.007 0.000 0.250 859 A C 1.436 178.617 177.584 -0.671 0.000 1.049 859 A CA 0.487 52.082 52.037 -0.737 0.000 0.767 859 A CB 0.095 18.664 19.000 -0.718 0.000 0.965 859 A HN 0.538 nan 8.150 nan 0.000 0.514 860 E N 1.025 120.804 120.200 -0.702 0.000 2.182 860 E HA -0.017 4.337 4.350 0.007 0.000 0.195 860 E C 0.176 176.516 176.600 -0.433 0.000 0.933 860 E CA 0.463 56.575 56.400 -0.481 0.000 0.940 860 E CB 0.212 29.699 29.700 -0.356 0.000 0.945 860 E HN 0.741 nan 8.360 nan 0.000 0.477 861 D N 0.689 120.822 120.400 -0.445 0.000 2.325 861 D HA 0.207 4.851 4.640 0.007 0.000 0.234 861 D C 0.309 176.237 176.300 -0.621 0.000 1.122 861 D CA 0.188 53.982 54.000 -0.344 0.000 0.850 861 D CB 0.652 41.390 40.800 -0.104 0.000 0.921 861 D HN 0.100 nan 8.370 nan 0.000 0.513 862 G N 0.265 108.493 108.800 -0.954 0.000 2.866 862 G HA2 0.401 4.366 3.960 0.007 0.000 0.289 862 G HA3 0.401 4.366 3.960 0.007 0.000 0.289 862 G C -2.844 171.524 174.900 -0.887 0.000 1.396 862 G CA -1.246 43.078 45.100 -1.293 0.000 0.848 862 G HN -0.271 nan 8.290 nan 0.000 0.515 863 P HA 0.144 nan 4.420 nan 0.000 0.248 863 P C 0.817 177.710 177.300 -0.677 0.000 1.254 863 P CA 0.341 63.028 63.100 -0.688 0.000 1.252 863 P CB 0.125 31.330 31.700 -0.825 0.000 1.465 864 G N 2.893 111.382 108.800 -0.519 0.000 3.180 864 G HA2 0.057 4.021 3.960 0.007 0.000 0.246 864 G HA3 0.057 4.021 3.960 0.007 0.000 0.246 864 G C 0.771 175.471 174.900 -0.335 0.000 0.939 864 G CA -0.299 44.549 45.100 -0.421 0.000 1.920 864 G HN 0.481 nan 8.290 nan 0.000 0.612 865 V N -0.973 118.702 119.914 -0.397 0.000 3.070 865 V HA 0.127 4.251 4.120 0.007 0.000 0.359 865 V C 0.831 176.857 176.094 -0.113 0.000 1.438 865 V CA -0.560 61.555 62.300 -0.307 0.000 1.571 865 V CB -1.863 29.684 31.823 -0.459 0.000 1.246 865 V HN 0.175 nan 8.190 nan 0.000 0.463 866 T N 2.679 117.167 114.554 -0.110 0.000 2.466 866 T HA -0.069 4.285 4.350 0.007 0.000 0.234 866 T C 0.189 174.964 174.700 0.125 0.000 1.069 866 T CA 0.913 62.987 62.100 -0.044 0.000 1.271 866 T CB -1.046 67.848 68.868 0.043 0.000 1.048 866 T HN 0.842 nan 8.240 nan 0.000 0.487 867 Y N 0.383 120.724 120.300 0.069 0.000 3.001 867 Y HA -0.266 4.288 4.550 0.007 0.000 0.199 867 Y C 1.371 177.336 175.900 0.108 0.000 1.320 867 Y CA 0.747 58.893 58.100 0.076 0.000 0.974 867 Y CB -1.963 36.538 38.460 0.067 0.000 1.291 867 Y HN 0.838 nan 8.280 nan 0.000 0.465 868 H N 1.720 120.815 119.070 0.041 0.000 2.555 868 H HA 0.028 4.588 4.556 0.007 0.000 0.283 868 H C 0.213 175.390 175.328 -0.253 0.000 1.037 868 H CA 0.585 56.621 56.048 -0.021 0.000 1.169 868 H CB 0.376 30.116 29.762 -0.036 0.000 1.375 868 H HN 0.555 nan 8.280 nan 0.000 0.582 869 Q N 0.241 119.935 119.800 -0.176 0.000 2.454 869 Q HA -0.185 4.159 4.340 0.007 0.000 0.307 869 Q C 1.246 177.035 176.000 -0.351 0.000 1.430 869 Q CA 0.422 56.072 55.803 -0.257 0.000 0.786 869 Q CB -2.160 26.427 28.738 -0.252 0.000 1.115 869 Q HN 0.612 nan 8.270 nan 0.000 0.389 870 L N -1.267 119.885 121.223 -0.118 0.000 2.046 870 L HA -0.188 4.156 4.340 0.007 0.000 0.208 870 L C 2.123 178.951 176.870 -0.071 0.000 1.077 870 L CA 2.027 56.871 54.840 0.005 0.000 0.747 870 L CB -0.410 41.700 42.059 0.085 0.000 0.896 870 L HN 0.353 nan 8.230 nan 0.000 0.432 871 T N -1.978 112.505 114.554 -0.117 0.000 2.674 871 T HA -0.157 4.197 4.350 0.007 0.000 0.265 871 T C 1.787 176.411 174.700 -0.127 0.000 1.039 871 T CA 1.141 63.150 62.100 -0.152 0.000 1.150 871 T CB -0.244 68.475 68.868 -0.248 0.000 0.864 871 T HN 0.302 nan 8.240 nan 0.000 0.427 872 H N 0.966 120.007 119.070 -0.049 0.000 2.312 872 H HA 0.096 4.656 4.556 0.007 0.000 0.299 872 H C 0.691 176.044 175.328 0.042 0.000 1.051 872 H CA 0.859 56.914 56.048 0.012 0.000 1.227 872 H CB -0.782 29.035 29.762 0.091 0.000 1.389 872 H HN 0.487 nan 8.280 nan 0.000 0.524 873 F N -0.568 119.407 119.950 0.042 0.000 2.449 873 F HA 0.427 4.958 4.527 0.007 0.000 0.342 873 F C 0.670 176.346 175.800 -0.207 0.000 1.127 873 F CA -0.741 57.205 58.000 -0.090 0.000 0.975 873 F CB 1.237 40.175 39.000 -0.103 0.000 1.146 873 F HN -0.029 nan 8.300 nan 0.000 0.444 874 M N 3.302 122.784 119.600 -0.196 0.000 2.296 874 M HA -0.003 4.482 4.480 0.007 0.000 0.291 874 M C 1.728 177.752 176.300 -0.460 0.000 1.013 874 M CA 0.509 55.478 55.300 -0.552 0.000 1.089 874 M CB 0.217 32.650 32.600 -0.279 0.000 1.677 874 M HN 0.910 nan 8.290 nan 0.000 0.584 875 Q N 0.495 120.201 119.800 -0.155 0.000 1.935 875 Q HA -0.218 4.127 4.340 0.007 0.000 0.212 875 Q C 0.826 176.783 176.000 -0.071 0.000 1.008 875 Q CA 1.804 57.562 55.803 -0.075 0.000 0.868 875 Q CB -0.882 27.859 28.738 0.004 0.000 0.946 875 Q HN 0.562 nan 8.270 nan 0.000 0.418 876 C N 1.177 120.470 119.300 -0.011 0.000 4.424 876 C HA -0.077 4.387 4.460 0.007 0.000 0.304 876 C C 0.693 175.667 174.990 -0.027 0.000 1.344 876 C CA 0.612 59.628 59.018 -0.003 0.000 2.033 876 C CB -2.515 25.239 27.740 0.023 0.000 1.264 876 C HN 0.686 nan 8.230 nan 0.000 0.750 877 T N 0.168 114.702 114.554 -0.033 0.000 3.273 877 T HA 0.251 4.605 4.350 0.007 0.000 0.254 877 T C 0.118 174.784 174.700 -0.057 0.000 1.002 877 T CA 0.681 62.766 62.100 -0.026 0.000 0.913 877 T CB -0.004 68.866 68.868 0.004 0.000 1.056 877 T HN 0.774 nan 8.240 nan 0.000 0.576 878 E N 0.366 120.490 120.200 -0.128 0.000 2.935 878 E HA -0.001 4.354 4.350 0.007 0.000 0.321 878 E C -1.149 175.247 176.600 -0.340 0.000 1.070 878 E CA -0.308 55.907 56.400 -0.308 0.000 0.882 878 E CB 1.100 30.671 29.700 -0.216 0.000 1.224 878 E HN -0.087 nan 8.360 nan 0.000 0.445 879 D N 1.385 121.541 120.400 -0.406 0.000 2.319 879 D HA -0.011 4.634 4.640 0.007 0.000 0.230 879 D C 1.058 177.235 176.300 -0.204 0.000 1.094 879 D CA 0.443 54.332 54.000 -0.185 0.000 0.856 879 D CB 0.292 41.058 40.800 -0.057 0.000 0.915 879 D HN 0.467 nan 8.370 nan 0.000 0.517 880 H N 0.610 119.604 119.070 -0.127 0.000 2.321 880 H HA -0.103 4.457 4.556 0.007 0.000 0.295 880 H C -0.703 174.448 175.328 -0.294 0.000 1.102 880 H CA 1.541 57.459 56.048 -0.217 0.000 1.266 880 H CB -1.875 27.767 29.762 -0.201 0.000 1.363 880 H HN 0.424 nan 8.280 nan 0.000 0.492 881 P HA -0.077 nan 4.420 nan 0.000 0.239 881 P C -0.215 177.091 177.300 0.009 0.000 1.184 881 P CA 1.064 64.021 63.100 -0.238 0.000 0.760 881 P CB -0.270 31.031 31.700 -0.665 0.000 0.884 882 H N -1.300 117.719 119.070 -0.086 0.000 3.013 882 H HA 0.323 4.883 4.556 0.007 0.000 0.326 882 H C 0.536 175.881 175.328 0.028 0.000 0.973 882 H CA -0.724 55.382 56.048 0.096 0.000 1.369 882 H CB 0.295 30.174 29.762 0.196 0.000 1.598 882 H HN -0.353 nan 8.280 nan 0.000 0.518 883 F N 2.154 121.931 119.950 -0.289 0.000 1.980 883 F HA -0.103 4.428 4.527 0.007 0.000 0.297 883 F C 1.465 177.067 175.800 -0.331 0.000 1.225 883 F CA 1.212 59.070 58.000 -0.236 0.000 1.176 883 F CB -0.532 38.372 39.000 -0.160 0.000 0.961 883 F HN 0.506 nan 8.300 nan 0.000 0.501 884 E N 1.166 121.268 120.200 -0.162 0.000 1.954 884 E HA 0.223 4.577 4.350 0.007 0.000 0.272 884 E C -0.201 176.301 176.600 -0.162 0.000 1.170 884 E CA 0.010 56.328 56.400 -0.136 0.000 1.101 884 E CB -0.685 28.969 29.700 -0.077 0.000 1.076 884 E HN 0.381 nan 8.360 nan 0.000 0.449 885 G N 2.670 111.448 108.800 -0.037 0.000 2.368 885 G HA2 0.540 4.505 3.960 0.007 0.000 0.320 885 G HA3 0.540 4.505 3.960 0.007 0.000 0.320 885 G C -0.071 174.897 174.900 0.113 0.000 1.158 885 G CA -0.530 44.679 45.100 0.181 0.000 0.912 885 G HN 0.509 nan 8.290 nan 0.000 0.456 886 L N 1.650 122.952 121.223 0.131 0.000 3.914 886 L HA 0.287 4.631 4.340 0.007 0.000 0.382 886 L C -0.942 175.972 176.870 0.074 0.000 1.274 886 L CA -0.147 54.739 54.840 0.077 0.000 1.211 886 L CB 1.002 43.094 42.059 0.055 0.000 1.447 886 L HN 0.508 nan 8.230 nan 0.000 0.610 887 D N 0.046 120.502 120.400 0.094 0.000 2.301 887 D HA 0.235 4.879 4.640 0.007 0.000 0.203 887 D C 0.066 176.424 176.300 0.097 0.000 1.300 887 D CA -0.288 53.758 54.000 0.077 0.000 0.899 887 D CB 0.960 41.789 40.800 0.049 0.000 1.597 887 D HN 0.146 nan 8.370 nan 0.000 0.538 888 C N 2.502 121.882 119.300 0.134 0.000 3.724 888 C HA 0.330 4.795 4.460 0.007 0.000 0.327 888 C C 1.296 176.471 174.990 0.308 0.000 1.490 888 C CA 0.094 59.247 59.018 0.225 0.000 1.825 888 C CB -0.636 27.207 27.740 0.172 0.000 2.613 888 C HN 0.643 nan 8.230 nan 0.000 0.692 889 E N 1.631 121.954 120.200 0.205 0.000 2.382 889 E HA 0.081 4.435 4.350 0.007 0.000 0.190 889 E C 0.880 177.621 176.600 0.235 0.000 1.125 889 E CA 0.125 56.651 56.400 0.211 0.000 0.929 889 E CB -0.296 29.483 29.700 0.132 0.000 1.053 889 E HN 0.607 nan 8.360 nan 0.000 0.475 890 I N -0.162 120.558 120.570 0.250 0.000 3.059 890 I HA -0.060 4.115 4.170 0.007 0.000 0.270 890 I C 1.011 177.311 176.117 0.306 0.000 1.238 890 I CA 0.479 61.869 61.300 0.149 0.000 1.478 890 I CB -0.266 37.675 38.000 -0.098 0.000 1.097 890 I HN 0.116 nan 8.210 nan 0.000 0.455 891 F N 1.047 121.185 119.950 0.314 0.000 2.771 891 F HA -0.020 4.511 4.527 0.007 0.000 0.299 891 F C 1.680 177.634 175.800 0.257 0.000 1.177 891 F CA 0.753 59.022 58.000 0.448 0.000 1.450 891 F CB -0.597 38.586 39.000 0.306 0.000 1.114 891 F HN 0.207 nan 8.300 nan 0.000 0.587 892 E N -0.389 120.024 120.200 0.355 0.000 2.583 892 E HA 0.312 4.666 4.350 0.007 0.000 0.213 892 E C 0.800 177.489 176.600 0.149 0.000 0.989 892 E CA -0.243 56.282 56.400 0.209 0.000 0.991 892 E CB 0.395 30.197 29.700 0.170 0.000 1.040 892 E HN 0.165 nan 8.360 nan 0.000 0.481 893 A N 3.036 125.970 122.820 0.191 0.000 2.520 893 A HA 0.085 4.409 4.320 0.007 0.000 0.235 893 A C -1.390 176.199 177.584 0.009 0.000 1.065 893 A CA -0.769 51.340 52.037 0.120 0.000 0.764 893 A CB -0.007 19.124 19.000 0.219 0.000 1.002 893 A HN -0.025 nan 8.150 nan 0.000 0.502 894 P HA 0.028 nan 4.420 nan 0.000 0.249 894 P C 0.330 177.480 177.300 -0.249 0.000 1.229 894 P CA 0.706 63.736 63.100 -0.117 0.000 0.788 894 P CB 0.517 32.162 31.700 -0.092 0.000 1.072 895 E N 0.818 120.768 120.200 -0.417 0.000 2.102 895 E HA 0.012 4.366 4.350 0.007 0.000 0.190 895 E C -0.611 175.519 176.600 -0.783 0.000 0.971 895 E CA 0.846 56.744 56.400 -0.838 0.000 0.821 895 E CB -1.500 27.173 29.700 -1.711 0.000 0.777 895 E HN 0.334 nan 8.360 nan 0.000 0.460 896 P HA -0.139 nan 4.420 nan 0.000 0.222 896 P C 1.049 178.228 177.300 -0.202 0.000 1.147 896 P CA 1.350 64.299 63.100 -0.252 0.000 0.790 896 P CB 0.111 31.676 31.700 -0.225 0.000 0.780 897 M N -1.461 118.017 119.600 -0.203 0.000 2.447 897 M HA 0.011 4.496 4.480 0.007 0.000 0.266 897 M C 2.231 178.439 176.300 -0.152 0.000 1.120 897 M CA 1.293 56.508 55.300 -0.140 0.000 1.166 897 M CB -0.976 31.569 32.600 -0.092 0.000 1.349 897 M HN -0.167 nan 8.290 nan 0.000 0.463 898 T N 0.686 115.113 114.554 -0.211 0.000 3.139 898 T HA -0.065 4.290 4.350 0.007 0.000 0.267 898 T C 1.534 176.079 174.700 -0.259 0.000 1.164 898 T CA 0.841 62.807 62.100 -0.222 0.000 1.075 898 T CB 0.044 68.744 68.868 -0.280 0.000 0.904 898 T HN 0.118 nan 8.240 nan 0.000 0.540 899 M N 0.433 119.885 119.600 -0.246 0.000 2.206 899 M HA 0.322 4.806 4.480 0.007 0.000 0.249 899 M C 2.878 179.051 176.300 -0.212 0.000 1.125 899 M CA 1.375 56.515 55.300 -0.267 0.000 1.166 899 M CB -1.656 30.832 32.600 -0.187 0.000 1.266 899 M HN 0.311 nan 8.290 nan 0.000 0.445 900 A N 0.555 123.284 122.820 -0.151 0.000 1.958 900 A HA -0.211 4.113 4.320 0.007 0.000 0.221 900 A C 2.148 179.677 177.584 -0.092 0.000 1.178 900 A CA 1.800 53.765 52.037 -0.119 0.000 0.642 900 A CB -1.099 17.845 19.000 -0.092 0.000 0.816 900 A HN 0.466 nan 8.150 nan 0.000 0.453 901 L N -0.797 120.386 121.223 -0.067 0.000 2.141 901 L HA -0.001 4.344 4.340 0.007 0.000 0.209 901 L C 2.437 179.325 176.870 0.030 0.000 1.094 901 L CA 2.474 57.317 54.840 0.005 0.000 0.763 901 L CB -0.611 41.473 42.059 0.042 0.000 0.908 901 L HN 0.295 nan 8.230 nan 0.000 0.437 902 S N -1.888 113.790 115.700 -0.037 0.000 2.425 902 S HA -0.030 4.444 4.470 0.007 0.000 0.225 902 S C 1.847 176.368 174.600 -0.131 0.000 1.024 902 S CA 0.937 59.108 58.200 -0.048 0.000 0.951 902 S CB -0.146 62.816 63.200 -0.397 0.000 0.796 902 S HN 0.282 nan 8.310 nan 0.000 0.498 903 V N 2.393 122.212 119.914 -0.159 0.000 2.244 903 V HA -0.113 4.011 4.120 0.007 0.000 0.244 903 V C 2.367 178.421 176.094 -0.067 0.000 1.042 903 V CA 1.813 64.044 62.300 -0.116 0.000 1.006 903 V CB -0.786 30.943 31.823 -0.157 0.000 0.641 903 V HN 0.479 nan 8.190 nan 0.000 0.446 904 L N 0.467 121.645 121.223 -0.076 0.000 1.965 904 L HA -0.221 4.123 4.340 0.007 0.000 0.226 904 L C 2.390 179.235 176.870 -0.041 0.000 1.083 904 L CA 2.282 57.090 54.840 -0.053 0.000 0.790 904 L CB -0.950 41.084 42.059 -0.041 0.000 0.898 904 L HN 0.146 nan 8.230 nan 0.000 0.439 905 V N -0.514 119.350 119.914 -0.083 0.000 2.428 905 V HA -0.374 3.750 4.120 0.007 0.000 0.255 905 V C 2.356 178.414 176.094 -0.059 0.000 1.080 905 V CA 2.328 64.545 62.300 -0.139 0.000 1.083 905 V CB -1.196 30.309 31.823 -0.530 0.000 0.665 905 V HN 0.676 nan 8.190 nan 0.000 0.461 906 T N -0.616 113.939 114.554 0.001 0.000 3.054 906 T HA 0.175 4.529 4.350 0.007 0.000 0.259 906 T C 1.692 176.432 174.700 0.067 0.000 1.092 906 T CA 0.764 62.913 62.100 0.082 0.000 1.121 906 T CB -0.011 68.982 68.868 0.209 0.000 0.912 906 T HN 0.398 nan 8.240 nan 0.000 0.489 907 I N 0.967 121.567 120.570 0.050 0.000 2.406 907 I HA -0.033 4.141 4.170 0.007 0.000 0.249 907 I C 2.434 178.607 176.117 0.094 0.000 1.122 907 I CA 0.833 62.177 61.300 0.073 0.000 1.431 907 I CB -0.231 37.800 38.000 0.051 0.000 1.087 907 I HN 0.060 nan 8.210 nan 0.000 0.424 908 E N 0.705 120.957 120.200 0.087 0.000 2.204 908 E HA -0.125 4.229 4.350 0.007 0.000 0.194 908 E C 2.155 178.865 176.600 0.182 0.000 0.989 908 E CA 0.977 57.473 56.400 0.159 0.000 0.824 908 E CB -0.178 29.586 29.700 0.107 0.000 0.756 908 E HN 0.405 nan 8.360 nan 0.000 0.477 909 M N -0.307 119.349 119.600 0.093 0.000 2.374 909 M HA -0.087 4.398 4.480 0.007 0.000 0.264 909 M C 2.163 178.475 176.300 0.020 0.000 1.067 909 M CA 0.613 55.941 55.300 0.046 0.000 1.103 909 M CB -0.942 31.668 32.600 0.016 0.000 1.402 909 M HN 0.159 nan 8.290 nan 0.000 0.444 910 C N 0.133 119.462 119.300 0.047 0.000 2.631 910 C HA -0.038 4.426 4.460 0.007 0.000 0.283 910 C C 2.543 177.554 174.990 0.034 0.000 1.295 910 C CA 0.885 59.920 59.018 0.029 0.000 1.697 910 C CB -1.154 26.617 27.740 0.051 0.000 2.128 910 C HN 0.570 nan 8.230 nan 0.000 0.503 911 N N 1.394 120.159 118.700 0.108 0.000 2.258 911 N HA -0.133 4.611 4.740 0.007 0.000 0.187 911 N C 1.496 177.022 175.510 0.026 0.000 1.012 911 N CA 1.839 54.982 53.050 0.154 0.000 0.870 911 N CB -0.166 38.496 38.487 0.292 0.000 0.977 911 N HN 0.494 nan 8.380 nan 0.000 0.434 912 A N 0.071 122.819 122.820 -0.121 0.000 1.898 912 A HA -0.021 4.304 4.320 0.007 0.000 0.216 912 A C 2.202 179.617 177.584 -0.280 0.000 1.181 912 A CA 0.966 52.683 52.037 -0.534 0.000 0.620 912 A CB -0.582 18.174 19.000 -0.407 0.000 0.819 912 A HN 0.369 nan 8.150 nan 0.000 0.442 913 L N -0.272 120.863 121.223 -0.146 0.000 2.418 913 L HA -0.045 4.299 4.340 0.007 0.000 0.218 913 L C 1.844 178.664 176.870 -0.082 0.000 1.125 913 L CA 0.314 55.085 54.840 -0.114 0.000 0.835 913 L CB -0.353 41.640 42.059 -0.109 0.000 0.953 913 L HN 0.369 nan 8.230 nan 0.000 0.454 914 N N -0.705 117.963 118.700 -0.053 0.000 2.290 914 N HA -0.053 4.691 4.740 0.007 0.000 0.179 914 N C 1.383 176.896 175.510 0.006 0.000 1.016 914 N CA 0.787 53.831 53.050 -0.010 0.000 0.871 914 N CB 0.147 38.653 38.487 0.031 0.000 0.987 914 N HN 0.054 nan 8.380 nan 0.000 0.431 915 S N 1.222 116.914 115.700 -0.013 0.000 2.763 915 S HA 0.119 4.593 4.470 0.007 0.000 0.237 915 S C 1.287 175.864 174.600 -0.038 0.000 0.966 915 S CA -0.235 57.973 58.200 0.012 0.000 1.017 915 S CB -0.088 63.138 63.200 0.044 0.000 0.780 915 S HN 0.152 nan 8.310 nan 0.000 0.476 916 L N 0.848 122.044 121.223 -0.044 0.000 2.591 916 L HA 0.370 4.714 4.340 0.007 0.000 0.228 916 L C 0.519 177.384 176.870 -0.008 0.000 1.133 916 L CA 0.429 55.249 54.840 -0.034 0.000 0.880 916 L CB 0.117 42.154 42.059 -0.037 0.000 1.033 916 L HN 0.226 nan 8.230 nan 0.000 0.450 917 S N -2.215 113.486 115.700 0.002 0.000 2.643 917 S HA 0.287 4.762 4.470 0.007 0.000 0.270 917 S C 0.317 174.933 174.600 0.025 0.000 1.166 917 S CA -0.133 58.074 58.200 0.013 0.000 0.815 917 S CB 1.171 64.381 63.200 0.017 0.000 1.139 917 S HN 0.264 nan 8.310 nan 0.000 0.472 918 E N 0.355 120.571 120.200 0.026 0.000 2.364 918 E HA 0.296 4.651 4.350 0.007 0.000 0.203 918 E C 0.169 176.796 176.600 0.046 0.000 0.888 918 E CA 0.152 56.572 56.400 0.033 0.000 0.989 918 E CB 0.185 29.901 29.700 0.026 0.000 0.985 918 E HN 0.680 nan 8.360 nan 0.000 0.499 919 N N 0.460 119.186 118.700 0.043 0.000 2.536 919 N HA 0.113 4.857 4.740 0.007 0.000 0.286 919 N C -1.345 174.197 175.510 0.052 0.000 1.577 919 N CA -0.086 52.996 53.050 0.052 0.000 0.883 919 N CB 1.010 39.518 38.487 0.035 0.000 1.390 919 N HN -0.082 nan 8.380 nan 0.000 0.491 920 Q N 1.017 120.847 119.800 0.051 0.000 2.414 920 Q HA 0.290 4.634 4.340 0.007 0.000 0.256 920 Q C -0.569 175.459 176.000 0.047 0.000 0.974 920 Q CA -0.225 55.608 55.803 0.051 0.000 0.723 920 Q CB 1.692 30.452 28.738 0.038 0.000 1.281 920 Q HN 0.084 nan 8.270 nan 0.000 0.470 921 S N 1.661 117.399 115.700 0.063 0.000 2.542 921 S HA -0.054 4.421 4.470 0.007 0.000 0.287 921 S C 1.502 176.108 174.600 0.010 0.000 1.315 921 S CA -0.107 58.117 58.200 0.040 0.000 1.037 921 S CB 0.404 63.632 63.200 0.046 0.000 0.822 921 S HN 0.458 nan 8.310 nan 0.000 0.513 922 L N 1.774 122.985 121.223 -0.020 0.000 2.549 922 L HA -0.046 4.298 4.340 0.007 0.000 0.230 922 L C 2.089 178.931 176.870 -0.047 0.000 1.162 922 L CA 1.177 55.985 54.840 -0.054 0.000 0.834 922 L CB -0.509 41.492 42.059 -0.096 0.000 0.947 922 L HN 0.599 nan 8.230 nan 0.000 0.452 923 M N -1.526 118.065 119.600 -0.015 0.000 2.388 923 M HA -0.001 4.483 4.480 0.007 0.000 0.265 923 M C 1.937 178.260 176.300 0.038 0.000 1.088 923 M CA 1.155 56.461 55.300 0.009 0.000 1.134 923 M CB -0.514 32.089 32.600 0.006 0.000 1.384 923 M HN 0.115 nan 8.290 nan 0.000 0.447 924 R N -0.775 119.748 120.500 0.038 0.000 2.265 924 R HA 0.213 4.557 4.340 0.007 0.000 0.194 924 R C 0.687 177.016 176.300 0.048 0.000 0.931 924 R CA 0.272 56.403 56.100 0.051 0.000 1.032 924 R CB 0.211 30.543 30.300 0.053 0.000 0.980 924 R HN 0.249 nan 8.270 nan 0.000 0.497 925 M N 1.980 121.596 119.600 0.027 0.000 2.634 925 M HA 0.352 4.836 4.480 0.007 0.000 0.211 925 M C -2.719 173.566 176.300 -0.025 0.000 1.019 925 M CA -1.745 53.564 55.300 0.015 0.000 0.834 925 M CB 0.994 33.596 32.600 0.003 0.000 1.376 925 M HN -0.306 nan 8.290 nan 0.000 0.465 926 P HA 0.113 nan 4.420 nan 0.000 0.261 926 P C -2.252 174.904 177.300 -0.240 0.000 1.183 926 P CA -0.473 62.561 63.100 -0.110 0.000 0.761 926 P CB 0.180 32.067 31.700 0.311 0.000 0.785 927 P HA -0.127 nan 4.420 nan 0.000 0.223 927 P C 0.237 177.427 177.300 -0.185 0.000 1.144 927 P CA 1.134 64.028 63.100 -0.342 0.000 0.783 927 P CB -0.272 31.173 31.700 -0.426 0.000 0.771 928 W N -2.542 118.755 121.300 -0.006 0.000 3.256 928 W HA 0.215 4.879 4.660 0.007 0.000 0.269 928 W C 0.912 177.433 176.519 0.004 0.000 1.310 928 W CA -0.145 57.194 57.345 -0.011 0.000 1.673 928 W CB -1.854 27.594 29.460 -0.020 0.000 1.115 928 W HN -0.296 nan 8.180 nan 0.000 0.686 929 V N 1.699 121.777 119.914 0.273 0.000 3.380 929 V HA -0.089 4.035 4.120 0.007 0.000 0.268 929 V C 0.641 176.829 176.094 0.158 0.000 1.168 929 V CA 1.256 63.675 62.300 0.199 0.000 1.156 929 V CB -0.871 31.043 31.823 0.151 0.000 0.785 929 V HN 0.262 nan 8.190 nan 0.000 0.487 930 N N 0.065 118.856 118.700 0.151 0.000 2.762 930 N HA 0.299 5.044 4.740 0.007 0.000 0.252 930 N C 0.787 176.398 175.510 0.169 0.000 1.269 930 N CA -0.148 53.010 53.050 0.181 0.000 0.799 930 N CB 0.801 39.380 38.487 0.153 0.000 1.173 930 N HN 0.171 nan 8.380 nan 0.000 0.516 931 I N 0.362 121.013 120.570 0.135 0.000 2.113 931 I HA -0.330 3.845 4.170 0.007 0.000 0.242 931 I C 1.216 177.264 176.117 -0.115 0.000 1.057 931 I CA 1.867 63.141 61.300 -0.043 0.000 1.314 931 I CB -0.146 37.730 38.000 -0.205 0.000 1.022 931 I HN 0.484 nan 8.210 nan 0.000 0.408 932 W N 0.053 121.410 121.300 0.095 0.000 2.538 932 W HA -0.121 4.543 4.660 0.007 0.000 0.254 932 W C 2.183 178.767 176.519 0.110 0.000 1.249 932 W CA 0.189 57.614 57.345 0.133 0.000 1.253 932 W CB -0.489 29.139 29.460 0.281 0.000 1.130 932 W HN 0.197 nan 8.180 nan 0.000 0.618 933 L N -0.301 121.055 121.223 0.223 0.000 2.202 933 L HA 0.069 4.413 4.340 0.007 0.000 0.205 933 L C 1.942 178.834 176.870 0.037 0.000 1.083 933 L CA 1.599 56.506 54.840 0.111 0.000 0.790 933 L CB -0.800 41.299 42.059 0.067 0.000 0.942 933 L HN -0.032 nan 8.230 nan 0.000 0.452 934 L N -0.794 120.439 121.223 0.017 0.000 1.988 934 L HA -0.049 4.295 4.340 0.007 0.000 0.207 934 L C 2.540 179.392 176.870 -0.029 0.000 1.071 934 L CA 1.340 56.169 54.840 -0.018 0.000 0.744 934 L CB -1.609 40.445 42.059 -0.008 0.000 0.893 934 L HN 0.381 nan 8.230 nan 0.000 0.433 935 G N 0.126 108.896 108.800 -0.050 0.000 2.469 935 G HA2 -0.332 3.633 3.960 0.007 0.000 0.220 935 G HA3 -0.332 3.633 3.960 0.007 0.000 0.220 935 G C 1.835 176.732 174.900 -0.006 0.000 1.136 935 G CA 1.261 46.325 45.100 -0.059 0.000 0.759 935 G HN 0.509 nan 8.290 nan 0.000 0.562 936 S N 0.891 116.615 115.700 0.040 0.000 2.348 936 S HA -0.097 4.377 4.470 0.007 0.000 0.221 936 S C 2.367 176.977 174.600 0.017 0.000 1.033 936 S CA 1.322 59.553 58.200 0.052 0.000 1.010 936 S CB -0.493 62.752 63.200 0.074 0.000 0.891 936 S HN 0.366 nan 8.310 nan 0.000 0.442 937 I N 1.439 122.008 120.570 -0.002 0.000 2.208 937 I HA -0.202 3.972 4.170 0.007 0.000 0.245 937 I C 2.742 178.837 176.117 -0.037 0.000 1.097 937 I CA 1.050 62.339 61.300 -0.018 0.000 1.363 937 I CB -0.888 37.089 38.000 -0.037 0.000 1.051 937 I HN 0.427 nan 8.210 nan 0.000 0.413 938 C N 0.445 119.717 119.300 -0.048 0.000 2.413 938 C HA -0.174 4.291 4.460 0.007 0.000 0.277 938 C C 2.759 177.715 174.990 -0.057 0.000 1.228 938 C CA 0.550 59.525 59.018 -0.073 0.000 1.731 938 C CB -0.995 26.703 27.740 -0.070 0.000 2.042 938 C HN 0.498 nan 8.230 nan 0.000 0.468 939 L N 0.753 121.963 121.223 -0.022 0.000 2.261 939 L HA -0.091 4.254 4.340 0.007 0.000 0.216 939 L C 2.560 179.450 176.870 0.032 0.000 1.114 939 L CA 1.978 56.822 54.840 0.006 0.000 0.777 939 L CB -0.643 41.430 42.059 0.024 0.000 0.910 939 L HN 0.390 nan 8.230 nan 0.000 0.440 940 S N -0.996 114.720 115.700 0.027 0.000 2.336 940 S HA -0.114 4.361 4.470 0.007 0.000 0.216 940 S C 1.915 176.568 174.600 0.089 0.000 1.032 940 S CA 1.119 59.359 58.200 0.067 0.000 0.973 940 S CB -0.145 63.084 63.200 0.048 0.000 0.888 940 S HN 0.487 nan 8.310 nan 0.000 0.455 941 M N 1.153 120.757 119.600 0.006 0.000 2.446 941 M HA 0.010 4.495 4.480 0.007 0.000 0.263 941 M C 2.118 178.356 176.300 -0.102 0.000 1.066 941 M CA 0.857 56.138 55.300 -0.031 0.000 1.087 941 M CB -0.313 32.179 32.600 -0.181 0.000 1.406 941 M HN 0.348 nan 8.290 nan 0.000 0.459 942 S N 0.118 115.772 115.700 -0.076 0.000 2.558 942 S HA 0.170 4.644 4.470 0.007 0.000 0.217 942 S C 1.458 176.098 174.600 0.066 0.000 0.975 942 S CA 0.161 58.312 58.200 -0.081 0.000 0.912 942 S CB 0.131 63.283 63.200 -0.080 0.000 0.776 942 S HN 0.469 nan 8.310 nan 0.000 0.526 943 L N -0.214 121.114 121.223 0.175 0.000 2.556 943 L HA 0.259 4.603 4.340 0.007 0.000 0.226 943 L C 2.138 179.150 176.870 0.236 0.000 1.089 943 L CA 0.329 55.340 54.840 0.285 0.000 0.864 943 L CB -0.235 42.115 42.059 0.486 0.000 1.067 943 L HN 0.321 nan 8.230 nan 0.000 0.477 944 H N 0.336 119.512 119.070 0.176 0.000 2.307 944 H HA -0.070 4.490 4.556 0.007 0.000 0.303 944 H C 1.480 176.913 175.328 0.175 0.000 1.073 944 H CA 1.629 57.772 56.048 0.159 0.000 1.338 944 H CB 0.003 29.966 29.762 0.336 0.000 1.389 944 H HN 0.085 nan 8.280 nan 0.000 0.503 945 F N -0.272 119.646 119.950 -0.053 0.000 2.788 945 F HA 0.034 4.566 4.527 0.007 0.000 0.300 945 F C 1.705 177.359 175.800 -0.243 0.000 1.229 945 F CA 0.237 58.087 58.000 -0.250 0.000 1.446 945 F CB -0.431 38.380 39.000 -0.316 0.000 1.118 945 F HN 0.204 nan 8.300 nan 0.000 0.579 946 L N -0.021 121.203 121.223 0.002 0.000 2.433 946 L HA 0.235 4.579 4.340 0.007 0.000 0.200 946 L C 1.793 178.584 176.870 -0.132 0.000 1.059 946 L CA 0.800 55.622 54.840 -0.030 0.000 0.835 946 L CB -0.170 41.897 42.059 0.012 0.000 1.076 946 L HN 0.121 nan 8.230 nan 0.000 0.481 947 I N -2.596 117.762 120.570 -0.352 0.000 3.752 947 I HA 0.148 4.322 4.170 0.007 0.000 0.313 947 I C 1.040 176.900 176.117 -0.429 0.000 1.304 947 I CA 0.415 61.369 61.300 -0.577 0.000 1.171 947 I CB 0.153 37.376 38.000 -1.294 0.000 1.038 947 I HN 0.212 nan 8.210 nan 0.000 0.427 948 L N -0.781 120.323 121.223 -0.199 0.000 2.948 948 L HA 0.322 4.666 4.340 0.007 0.000 0.259 948 L C 1.021 178.023 176.870 0.219 0.000 1.136 948 L CA 0.804 55.602 54.840 -0.070 0.000 0.959 948 L CB 0.216 42.184 42.059 -0.150 0.000 1.370 948 L HN 0.093 nan 8.230 nan 0.000 0.552 949 Y N -1.770 118.447 120.300 -0.139 0.000 2.585 949 Y HA 0.383 4.938 4.550 0.007 0.000 0.272 949 Y C 0.893 176.764 175.900 -0.050 0.000 1.119 949 Y CA -0.646 57.406 58.100 -0.080 0.000 1.255 949 Y CB 0.121 38.555 38.460 -0.044 0.000 1.284 949 Y HN -0.322 nan 8.280 nan 0.000 0.499 950 V N 3.892 123.874 119.914 0.112 0.000 2.382 950 V HA -0.075 4.050 4.120 0.007 0.000 0.250 950 V C 0.658 176.771 176.094 0.032 0.000 1.069 950 V CA -0.021 62.316 62.300 0.061 0.000 1.130 950 V CB -0.672 31.176 31.823 0.043 0.000 1.165 950 V HN 0.319 nan 8.190 nan 0.000 0.483 951 D N 5.612 126.023 120.400 0.018 0.000 3.866 951 D HA -0.265 4.379 4.640 0.007 0.000 0.210 951 D C -0.018 176.286 176.300 0.007 0.000 1.279 951 D CA 2.504 56.503 54.000 -0.000 0.000 0.868 951 D CB -1.636 39.163 40.800 -0.002 0.000 0.938 951 D HN 0.501 nan 8.370 nan 0.000 0.571 952 P HA -0.138 nan 4.420 nan 0.000 0.214 952 P C 2.187 179.515 177.300 0.046 0.000 1.163 952 P CA 1.145 64.259 63.100 0.023 0.000 0.883 952 P CB -0.176 31.541 31.700 0.029 0.000 0.788 953 L N 0.830 122.096 121.223 0.071 0.000 1.965 953 L HA -0.157 4.187 4.340 0.007 0.000 0.226 953 L C 0.077 177.081 176.870 0.224 0.000 1.083 953 L CA 2.924 57.852 54.840 0.147 0.000 0.790 953 L CB -2.964 39.107 42.059 0.019 0.000 0.898 953 L HN 0.091 nan 8.230 nan 0.000 0.439 954 P HA -0.218 nan 4.420 nan 0.000 0.223 954 P C 1.576 178.903 177.300 0.045 0.000 1.144 954 P CA 1.465 64.611 63.100 0.077 0.000 0.783 954 P CB -0.038 31.648 31.700 -0.023 0.000 0.771 955 M N 0.896 120.509 119.600 0.021 0.000 2.117 955 M HA -0.106 4.378 4.480 0.007 0.000 0.262 955 M C 2.105 178.375 176.300 -0.051 0.000 1.065 955 M CA 1.736 57.024 55.300 -0.019 0.000 1.114 955 M CB -1.157 31.429 32.600 -0.022 0.000 1.361 955 M HN -0.089 nan 8.290 nan 0.000 0.408 956 I N -3.787 116.740 120.570 -0.070 0.000 2.480 956 I HA -0.076 4.098 4.170 0.007 0.000 0.251 956 I C 1.473 177.328 176.117 -0.436 0.000 1.124 956 I CA 1.236 62.384 61.300 -0.252 0.000 1.444 956 I CB -0.886 36.927 38.000 -0.312 0.000 1.098 956 I HN 0.060 nan 8.210 nan 0.000 0.428 957 F N 1.867 121.766 119.950 -0.086 0.000 2.664 957 F HA 0.255 4.786 4.527 0.007 0.000 0.296 957 F C 0.219 175.958 175.800 -0.101 0.000 1.125 957 F CA 0.208 58.147 58.000 -0.101 0.000 1.444 957 F CB 0.217 39.121 39.000 -0.159 0.000 1.114 957 F HN -0.036 nan 8.300 nan 0.000 0.576 958 K N -0.134 120.303 120.400 0.061 0.000 7.140 958 K HA -0.113 4.211 4.320 0.007 0.000 0.736 958 K C -0.962 175.610 176.600 -0.047 0.000 2.402 958 K CA -0.292 55.988 56.287 -0.010 0.000 1.819 958 K CB -0.835 31.650 32.500 -0.024 0.000 2.719 958 K HN 0.060 nan 8.250 nan 0.000 0.294 959 L N 2.621 123.792 121.223 -0.087 0.000 2.499 959 L HA 0.030 4.375 4.340 0.007 0.000 0.281 959 L C 1.433 178.194 176.870 -0.183 0.000 1.234 959 L CA 0.580 55.343 54.840 -0.128 0.000 0.839 959 L CB 0.374 42.366 42.059 -0.113 0.000 1.104 959 L HN 0.634 nan 8.230 nan 0.000 0.500 960 K N 3.292 123.571 120.400 -0.202 0.000 2.174 960 K HA 0.423 4.748 4.320 0.007 0.000 0.247 960 K C -0.613 175.868 176.600 -0.199 0.000 1.056 960 K CA 0.075 56.228 56.287 -0.224 0.000 0.799 960 K CB 0.015 32.318 32.500 -0.328 0.000 1.066 960 K HN 0.695 nan 8.250 nan 0.000 0.530 961 A N 0.354 123.088 122.820 -0.143 0.000 2.574 961 A HA 0.517 4.842 4.320 0.007 0.000 0.297 961 A C -1.257 176.352 177.584 0.042 0.000 1.062 961 A CA -1.036 50.951 52.037 -0.083 0.000 0.686 961 A CB 1.211 20.085 19.000 -0.210 0.000 1.285 961 A HN 0.548 nan 8.150 nan 0.000 0.403 962 L N 1.225 122.514 121.223 0.109 0.000 2.322 962 L HA 0.341 4.685 4.340 0.007 0.000 0.279 962 L C 0.980 178.005 176.870 0.258 0.000 1.036 962 L CA -0.715 54.226 54.840 0.169 0.000 0.807 962 L CB 1.488 43.627 42.059 0.132 0.000 1.226 962 L HN 0.957 nan 8.230 nan 0.000 0.433 963 D N 1.851 122.449 120.400 0.330 0.000 2.393 963 D HA -0.148 4.497 4.640 0.007 0.000 0.220 963 D C 1.860 178.327 176.300 0.279 0.000 0.974 963 D CA 0.737 54.973 54.000 0.393 0.000 0.931 963 D CB 0.253 41.202 40.800 0.249 0.000 0.889 963 D HN 0.494 nan 8.370 nan 0.000 0.512 964 L N -0.683 120.673 121.223 0.222 0.000 2.241 964 L HA -0.389 3.955 4.340 0.007 0.000 0.244 964 L C 1.850 178.838 176.870 0.195 0.000 1.128 964 L CA 2.507 57.460 54.840 0.189 0.000 0.849 964 L CB -1.114 41.061 42.059 0.193 0.000 0.965 964 L HN 0.189 nan 8.230 nan 0.000 0.444 965 T N -4.691 110.004 114.554 0.234 0.000 3.220 965 T HA -0.003 4.351 4.350 0.007 0.000 0.262 965 T C 1.308 176.146 174.700 0.231 0.000 0.843 965 T CA -0.035 62.201 62.100 0.227 0.000 0.838 965 T CB 0.313 69.318 68.868 0.228 0.000 1.262 965 T HN 0.210 nan 8.240 nan 0.000 0.613 966 Q N 0.344 120.297 119.800 0.255 0.000 2.173 966 Q HA -0.170 4.174 4.340 0.007 0.000 0.208 966 Q C 1.629 177.558 176.000 -0.118 0.000 0.989 966 Q CA 1.877 57.714 55.803 0.057 0.000 0.872 966 Q CB -0.113 28.727 28.738 0.170 0.000 0.909 966 Q HN 0.611 nan 8.270 nan 0.000 0.420 967 W N 0.325 121.618 121.300 -0.011 0.000 2.407 967 W HA -0.133 4.531 4.660 0.007 0.000 0.305 967 W C 1.642 178.149 176.519 -0.021 0.000 1.196 967 W CA 0.247 57.586 57.345 -0.011 0.000 1.311 967 W CB 0.040 29.533 29.460 0.054 0.000 1.135 967 W HN 0.107 nan 8.180 nan 0.000 0.514 968 L N -0.119 121.296 121.223 0.319 0.000 2.261 968 L HA -0.242 4.103 4.340 0.007 0.000 0.216 968 L C 2.227 179.160 176.870 0.105 0.000 1.114 968 L CA 1.544 56.501 54.840 0.196 0.000 0.777 968 L CB -1.301 40.853 42.059 0.158 0.000 0.910 968 L HN 0.093 nan 8.230 nan 0.000 0.440 969 M N -0.902 118.705 119.600 0.012 0.000 2.098 969 M HA -0.081 4.403 4.480 0.007 0.000 0.262 969 M C 2.175 178.359 176.300 -0.193 0.000 1.072 969 M CA 1.637 56.842 55.300 -0.158 0.000 1.133 969 M CB -0.438 31.865 32.600 -0.494 0.000 1.344 969 M HN -0.028 nan 8.290 nan 0.000 0.414 970 V N 0.813 120.598 119.914 -0.216 0.000 2.453 970 V HA -0.307 3.817 4.120 0.007 0.000 0.252 970 V C 2.440 178.545 176.094 0.018 0.000 1.068 970 V CA 1.889 64.083 62.300 -0.176 0.000 1.070 970 V CB -1.099 30.550 31.823 -0.290 0.000 0.664 970 V HN 0.548 nan 8.190 nan 0.000 0.461 971 L N -0.413 120.886 121.223 0.127 0.000 1.988 971 L HA -0.132 4.213 4.340 0.007 0.000 0.207 971 L C 2.295 179.210 176.870 0.075 0.000 1.071 971 L CA 1.470 56.389 54.840 0.132 0.000 0.744 971 L CB -0.594 41.550 42.059 0.141 0.000 0.893 971 L HN 0.170 nan 8.230 nan 0.000 0.433 972 K N 0.496 120.926 120.400 0.050 0.000 2.665 972 K HA 0.012 4.336 4.320 0.007 0.000 0.196 972 K C 1.147 177.776 176.600 0.048 0.000 1.021 972 K CA 0.713 57.028 56.287 0.046 0.000 1.066 972 K CB -0.292 32.230 32.500 0.037 0.000 0.849 972 K HN 0.345 nan 8.250 nan 0.000 0.500 973 I N -1.909 118.681 120.570 0.034 0.000 4.312 973 I HA 0.012 4.186 4.170 0.007 0.000 0.324 973 I C 1.131 177.290 176.117 0.070 0.000 1.298 973 I CA 0.038 61.343 61.300 0.009 0.000 1.231 973 I CB 0.602 38.538 38.000 -0.106 0.000 1.152 973 I HN -0.002 nan 8.210 nan 0.000 0.421 974 S N 0.574 116.335 115.700 0.102 0.000 2.783 974 S HA 0.170 4.644 4.470 0.007 0.000 0.205 974 S C 1.735 176.437 174.600 0.170 0.000 0.910 974 S CA -0.076 58.212 58.200 0.147 0.000 0.861 974 S CB -0.119 63.139 63.200 0.096 0.000 0.830 974 S HN 0.067 nan 8.310 nan 0.000 0.630 975 L N 2.333 123.618 121.223 0.103 0.000 2.119 975 L HA -0.182 4.163 4.340 0.007 0.000 0.226 975 L C -0.892 176.002 176.870 0.040 0.000 1.093 975 L CA 2.212 57.088 54.840 0.061 0.000 0.806 975 L CB -2.958 39.127 42.059 0.042 0.000 0.902 975 L HN 0.251 nan 8.230 nan 0.000 0.444 976 P HA -0.116 nan 4.420 nan 0.000 0.223 976 P C 2.054 179.282 177.300 -0.121 0.000 1.144 976 P CA 0.748 63.834 63.100 -0.023 0.000 0.783 976 P CB 0.003 31.706 31.700 0.005 0.000 0.771 977 V N -0.288 119.589 119.914 -0.062 0.000 2.332 977 V HA -0.264 3.861 4.120 0.007 0.000 0.248 977 V C 2.006 178.049 176.094 -0.084 0.000 1.055 977 V CA 1.720 63.944 62.300 -0.128 0.000 1.038 977 V CB -0.879 31.035 31.823 0.152 0.000 0.651 977 V HN 0.009 nan 8.190 nan 0.000 0.450 978 I N 0.427 120.978 120.570 -0.033 0.000 2.127 978 I HA -0.198 3.976 4.170 0.007 0.000 0.241 978 I C 2.641 178.725 176.117 -0.055 0.000 1.075 978 I CA 1.835 63.114 61.300 -0.034 0.000 1.334 978 I CB -1.252 36.729 38.000 -0.032 0.000 1.040 978 I HN 0.459 nan 8.210 nan 0.000 0.405 979 G N 1.273 110.033 108.800 -0.067 0.000 2.446 979 G HA2 -0.301 3.664 3.960 0.007 0.000 0.217 979 G HA3 -0.301 3.664 3.960 0.007 0.000 0.217 979 G C 1.651 176.501 174.900 -0.084 0.000 1.168 979 G CA 0.986 46.043 45.100 -0.072 0.000 0.771 979 G HN 0.307 nan 8.290 nan 0.000 0.551 980 L N 1.194 122.335 121.223 -0.136 0.000 1.990 980 L HA -0.122 4.222 4.340 0.007 0.000 0.213 980 L C 2.194 179.011 176.870 -0.089 0.000 1.072 980 L CA 3.001 57.747 54.840 -0.156 0.000 0.755 980 L CB -0.958 40.919 42.059 -0.304 0.000 0.889 980 L HN 0.321 nan 8.230 nan 0.000 0.432 981 D N -0.723 119.632 120.400 -0.075 0.000 2.078 981 D HA -0.281 4.364 4.640 0.007 0.000 0.193 981 D C 2.121 178.429 176.300 0.013 0.000 0.990 981 D CA 1.530 55.514 54.000 -0.028 0.000 0.827 981 D CB -0.218 40.575 40.800 -0.011 0.000 0.975 981 D HN 0.510 nan 8.370 nan 0.000 0.451 982 E N -0.690 119.510 120.200 0.000 0.000 2.253 982 E HA -0.193 4.161 4.350 0.007 0.000 0.202 982 E C 1.894 178.524 176.600 0.049 0.000 1.014 982 E CA 1.085 57.494 56.400 0.015 0.000 0.823 982 E CB -0.132 29.554 29.700 -0.024 0.000 0.736 982 E HN 0.375 nan 8.360 nan 0.000 0.478 983 I N -0.168 120.427 120.570 0.042 0.000 2.296 983 I HA -0.162 4.012 4.170 0.007 0.000 0.242 983 I C 2.216 178.444 176.117 0.186 0.000 1.087 983 I CA 0.810 62.162 61.300 0.086 0.000 1.393 983 I CB -1.023 36.999 38.000 0.038 0.000 1.093 983 I HN 0.224 nan 8.210 nan 0.000 0.421 984 L N 0.551 121.881 121.223 0.178 0.000 2.189 984 L HA -0.258 4.086 4.340 0.007 0.000 0.214 984 L C 2.503 179.634 176.870 0.435 0.000 1.097 984 L CA 1.447 56.489 54.840 0.336 0.000 0.764 984 L CB -0.564 41.590 42.059 0.160 0.000 0.900 984 L HN 0.254 nan 8.230 nan 0.000 0.436 985 K N -0.769 119.794 120.400 0.273 0.000 2.007 985 K HA -0.151 4.174 4.320 0.007 0.000 0.206 985 K C 2.076 178.793 176.600 0.195 0.000 1.047 985 K CA 1.194 57.619 56.287 0.230 0.000 0.937 985 K CB -0.336 32.261 32.500 0.162 0.000 0.718 985 K HN 0.013 nan 8.250 nan 0.000 0.438 986 F N 2.212 122.192 119.950 0.049 0.000 2.192 986 F HA -0.183 4.349 4.527 0.007 0.000 0.301 986 F C 1.808 177.601 175.800 -0.012 0.000 1.079 986 F CA 1.189 59.198 58.000 0.015 0.000 1.303 986 F CB -0.171 38.836 39.000 0.012 0.000 1.024 986 F HN -0.032 nan 8.300 nan 0.000 0.494 987 I N -0.901 119.725 120.570 0.095 0.000 2.493 987 I HA -0.258 3.916 4.170 0.007 0.000 0.254 987 I C 2.332 178.259 176.117 -0.317 0.000 1.160 987 I CA 1.091 62.329 61.300 -0.102 0.000 1.445 987 I CB -0.692 37.303 38.000 -0.008 0.000 1.086 987 I HN 0.192 nan 8.210 nan 0.000 0.433 988 A N 0.488 123.136 122.820 -0.287 0.000 1.970 988 A HA 0.017 4.342 4.320 0.007 0.000 0.204 988 A C 2.307 179.768 177.584 -0.205 0.000 1.325 988 A CA 0.140 51.962 52.037 -0.358 0.000 0.767 988 A CB -0.371 18.425 19.000 -0.341 0.000 0.949 988 A HN 0.200 nan 8.150 nan 0.000 0.481 989 R N -0.000 120.414 120.500 -0.143 0.000 2.211 989 R HA -0.149 4.195 4.340 0.007 0.000 0.240 989 R C 1.168 177.333 176.300 -0.226 0.000 1.144 989 R CA 1.969 57.986 56.100 -0.138 0.000 0.992 989 R CB -0.094 30.163 30.300 -0.071 0.000 0.869 989 R HN 0.605 nan 8.270 nan 0.000 0.462 990 N N -1.723 116.785 118.700 -0.320 0.000 2.782 990 N HA -0.090 4.655 4.740 0.007 0.000 0.244 990 N C 1.183 176.580 175.510 -0.188 0.000 1.029 990 N CA 0.331 53.185 53.050 -0.326 0.000 0.999 990 N CB -0.502 37.627 38.487 -0.596 0.000 1.634 990 N HN 0.067 nan 8.380 nan 0.000 0.478 991 Y N 2.475 122.587 120.300 -0.313 0.000 2.274 991 Y HA 0.065 4.620 4.550 0.007 0.000 0.290 991 Y C 2.002 177.759 175.900 -0.238 0.000 1.145 991 Y CA 1.290 59.236 58.100 -0.256 0.000 1.203 991 Y CB -0.121 38.170 38.460 -0.281 0.000 0.984 991 Y HN -0.011 nan 8.280 nan 0.000 0.533 992 L N -0.723 120.362 121.223 -0.229 0.000 2.357 992 L HA 0.137 4.481 4.340 0.007 0.000 0.211 992 L C 0.442 177.196 176.870 -0.192 0.000 1.075 992 L CA 0.466 55.155 54.840 -0.252 0.000 0.830 992 L CB -0.048 41.874 42.059 -0.230 0.000 0.996 992 L HN 0.115 nan 8.230 nan 0.000 0.467 993 E N -0.962 119.139 120.200 -0.165 0.000 2.458 993 E HA 0.566 4.921 4.350 0.007 0.000 0.278 993 E C -0.260 176.265 176.600 -0.125 0.000 1.004 993 E CA -0.480 55.844 56.400 -0.126 0.000 0.823 993 E CB 1.788 31.432 29.700 -0.094 0.000 1.396 993 E HN -0.013 nan 8.360 nan 0.000 0.463 994 G N 0.000 108.742 108.800 -0.096 0.000 5.446 994 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 994 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 994 G CA 0.000 45.047 45.100 -0.088 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925